3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid

C113H106N14O15 — CID 163796067

IUPAC3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid
SMILESCOc1cccc(C(CCN)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(N)CCO)c1.O=C1NC(=O)c2ccccc21.[H]/N=C/c1cc(-c2cccc(C(=O)O)c2)ccc1C
InChIInChI=1S/C32H26N4O4.C24H24N4O2.C24H23N3O3.C15H13NO2.C10H15NO2.C8H5NO2/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29;1-30-21-7-3-5-18(14-21)22(10-11-25)27-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-26-28-23;1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23;1-10-5-6-12(8-14(10)9-16)11-3-2-4-13(7-11)15(17)18;1-13-9-4-2-3-8(7-9)10(11)5-6-12;10-7-5-3-1-2-4-6(5)8(11)9-7/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37);2-9,12-15,22H,10-11,25H2,1H3,(H,26,28)(H,27,29);2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29);2-9,16H,1H3,(H,17,18);2-4,7,10,12H,5-6,11H2,1H3;1-4H,(H,9,10,11)/b;;;16-9+;;
InChIKeyNAWONHXWOZYOQI-ZIKKNCDESA-N
MW1900.17 g/mol
LogP18.55
Rot. Bonds29

About 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid

3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid (PubChem CID 163796067) has the molecular formula C113H106N14O15 and a molecular weight of 1900.17 g/mol. Its IUPAC name is 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid
PubChem CID163796067
Molecular FormulaC113H106N14O15
Molecular Weight1900.17 g/mol
Exact Mass1898.80
IUPAC Name3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid
SMILESCOc1cccc(C(CCN)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(N)CCO)c1.O=C1NC(=O)c2ccccc21.[H]/N=C/c1cc(-c2cccc(C(=O)O)c2)ccc1C
InChIInChI=1S/C32H26N4O4.C24H24N4O2.C24H23N3O3.C15H13NO2.C10H15NO2.C8H5NO2/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29;1-30-21-7-3-5-18(14-21)22(10-11-25)27-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-26-28-23;1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23;1-10-5-6-12(8-14(10)9-16)11-3-2-4-13(7-11)15(17)18;1-13-9-4-2-3-8(7-9)10(11)5-6-12;10-7-5-3-1-2-4-6(5)8(11)9-7/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37);2-9,12-15,22H,10-11,25H2,1H3,(H,26,28)(H,27,29);2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29);2-9,16H,1H3,(H,17,18);2-4,7,10,12H,5-6,11H2,1H3;1-4H,(H,9,10,11)/b;;;16-9+;;
InChIKeyNAWONHXWOZYOQI-ZIKKNCDESA-N
XLogP18.55
TPSA447.46 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.17
LogP ≤ 518.55
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
CID 146208988
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 161054921
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 167591724
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
CID 167625644
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167639007
N-(2-hydroxyethyl)-3-[2-[(3-methoxyphenyl)methyl]indazol-4-yl]benzamide;3-[2-[(3-methoxyphenyl)methyl]indazol-4-yl]benzoic acid
CID 67185541
N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
CID 146208985
N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146209217
4-cyclopropyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-ethyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(hydroxymethyl)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 157159587
(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methylphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 157202515
N-cyclopropyl-3-[(E)-2-[4-(2-hydroxyethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157248359
2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]methanone;(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 157301208

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid?
The IUPAC name of 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid (CID 163796067) is 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid.
What is the SMILES notation for 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid?
The canonical SMILES for 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid is COc1cccc(C(CCN)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.COc1cccc(C(N)CCO)c1.O=C1NC(=O)c2ccccc21.[H]/N=C/c1cc(-c2cccc(C(=O)O)c2)ccc1C.
What is the InChIKey of 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid?
The InChIKey is NAWONHXWOZYOQI-ZIKKNCDESA-N. The full InChI is InChI=1S/C32H26N4O4.C24H24N4O2.C24H23N3O3.C15H13NO2.C10H15NO2.C8H5NO2/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29;1-30-21-7-3-5-18(14-21)22(10-11-25)27-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-26-28-23;1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23;1-10-5-6-12(8-14(10)9-16)11-3-2-4-13(7-11)15(17)18;1-13-9-4-2-3-8(7-9)10(11)5-6-12;10-7-5-3-1-2-4-6(5)8(11)9-7/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37);2-9,12-15,22H,10-11,25H2,1H3,(H,26,28)(H,27,29);2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29);2-9,16H,1H3,(H,17,18);2-4,7,10,12H,5-6,11H2,1H3;1-4H,(H,9,10,11)/b;;;16-9+;;.
What are the key properties of 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid?
3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid has a molecular weight of 1900.17 g/mol, XLogP of 18.55, 29 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methoxyphenyl)propan-1-ol;N-[3-amino-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide;isoindole-1,3-dione;3-(3-methanimidoyl-4-methylphenyl)benzoic acid is sourced from PubChem (CID 163796067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).