3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid

C82H92N4O14 — CID 159356780

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid
SMILESCOC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)Oc2ccc(C)cc2)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1ccc(O)cc1.Cc1ccc(OC(C)c2ccc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2)cc1.Cc1ccc(OC(C)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H26N2O3.C17H18O3.C16H16O3.C10H12O3.C8H12N2O.C7H8O/c1-15-5-11-21(12-6-15)29-18(4)19-7-9-20(10-8-19)23(27)25-14-22-16(2)13-17(3)26-24(22)28;1-12-4-10-16(11-5-12)20-13(2)14-6-8-15(9-7-14)17(18)19-3;1-11-3-9-15(10-4-11)19-12(2)13-5-7-14(8-6-13)16(17)18;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-6-2-4-7(8)5-3-6/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28);4-11,13H,1-3H3;3-10,12H,1-2H3,(H,17,18);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);2-5,8H,1H3
InChIKeyLIAGBNRWKRVKRN-UHFFFAOYSA-N
MW1357.65 g/mol
LogP15.80
Rot. Bonds17

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid (PubChem CID 159356780) has the molecular formula C82H92N4O14 and a molecular weight of 1357.65 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid
PubChem CID159356780
Molecular FormulaC82H92N4O14
Molecular Weight1357.65 g/mol
Exact Mass1356.66
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid
SMILESCOC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)Oc2ccc(C)cc2)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1ccc(O)cc1.Cc1ccc(OC(C)c2ccc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2)cc1.Cc1ccc(OC(C)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H26N2O3.C17H18O3.C16H16O3.C10H12O3.C8H12N2O.C7H8O/c1-15-5-11-21(12-6-15)29-18(4)19-7-9-20(10-8-19)23(27)25-14-22-16(2)13-17(3)26-24(22)28;1-12-4-10-16(11-5-12)20-13(2)14-6-8-15(9-7-14)17(18)19-3;1-11-3-9-15(10-4-11)19-12(2)13-5-7-14(8-6-13)16(17)18;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-6-2-4-7(8)5-3-6/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28);4-11,13H,1-3H3;3-10,12H,1-2H3,(H,17,18);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);2-5,8H,1H3
InChIKeyLIAGBNRWKRVKRN-UHFFFAOYSA-N
XLogP15.80
TPSA278.89 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.65
LogP ≤ 515.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid with MolForge

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Related Compounds

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;4-[1-(4-cyanophenoxy)ethyl]benzoic acid;4-[1-(3-cyanophenoxy)ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide;4-[1-(4-cyanophenoxy)ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide;4-hydroxybenzonitrile;methyl 4-[1-(4-cyanophenoxy)ethyl]benzoate;methyl 4-(1-hydroxyethyl)benzoate
CID 159910399
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid
CID 157446509
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]benzoic acid
CID 54670078
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;9-bromo-3,4-dimethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid;9-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dimethyl-2,5-dihydro-1-benzoxepine-7-carboxamide;hydrochloride
CID 161087450
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride
CID 157453221
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
methyl 4-[1-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]benzoate
CID 89382606
2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 51109177

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid (CID 159356780) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid is COC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)Oc2ccc(C)cc2)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1ccc(O)cc1.Cc1ccc(OC(C)c2ccc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2)cc1.Cc1ccc(OC(C)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid?
The InChIKey is LIAGBNRWKRVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.C17H18O3.C16H16O3.C10H12O3.C8H12N2O.C7H8O/c1-15-5-11-21(12-6-15)29-18(4)19-7-9-20(10-8-19)23(27)25-14-22-16(2)13-17(3)26-24(22)28;1-12-4-10-16(11-5-12)20-13(2)14-6-8-15(9-7-14)17(18)19-3;1-11-3-9-15(10-4-11)19-12(2)13-5-7-14(8-6-13)16(17)18;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-6-2-4-7(8)5-3-6/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28);4-11,13H,1-3H3;3-10,12H,1-2H3,(H,17,18);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);2-5,8H,1H3.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid has a molecular weight of 1357.65 g/mol, XLogP of 15.80, 17 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid is sourced from PubChem (CID 159356780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).