methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide

C120H141N9O11 — CID 159878285

IUPACmethyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide
SMILESC=CC(=O)OC.CC1CCCCN1C(=O)CCNc1cccc(-c2ccccc2)c1.CC1CCCCN1CCCNc1cccc(-c2ccccc2)c1.COC(=O)CCNc1cccc(-c2ccccc2)c1.COc1cc(C(=O)N(CCCN2CCCCC2C)c2cccc(-c3ccccc3)c2)cc(OC)c1OC.Nc1cccc(-c2ccccc2)c1.O=C(O)CCNc1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H38N2O4.C21H26N2O.C21H28N2.C16H17NO2.C15H15NO2.C12H11N.C4H6O2/c1-23-12-8-9-17-32(23)18-11-19-33(27-16-10-15-25(20-27)24-13-6-5-7-14-24)31(34)26-21-28(35-2)30(37-4)29(22-26)36-3;1-17-8-5-6-15-23(17)21(24)13-14-22-20-12-7-11-19(16-20)18-9-3-2-4-10-18;1-18-9-5-6-15-23(18)16-8-14-22-21-13-7-12-20(17-21)19-10-3-2-4-11-19;1-19-16(18)10-11-17-15-9-5-8-14(12-15)13-6-3-2-4-7-13;17-15(18)9-10-16-14-8-4-7-13(11-14)12-5-2-1-3-6-12;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-3-4(5)6-2/h5-7,10,13-16,20-23H,8-9,11-12,17-19H2,1-4H3;2-4,7,9-12,16-17,22H,5-6,8,13-15H2,1H3;2-4,7,10-13,17-18,22H,5-6,8-9,14-16H2,1H3;2-9,12,17H,10-11H2,1H3;1-8,11,16H,9-10H2,(H,17,18);1-9H,13H2;3H,1H2,2H3
InChIKeyNTESEACYWDQMJT-UHFFFAOYSA-N
MW1885.50 g/mol
LogP25.73
Rot. Bonds33

About methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide

methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide (PubChem CID 159878285) has the molecular formula C120H141N9O11 and a molecular weight of 1885.50 g/mol. Its IUPAC name is methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide.

Molecular Properties

Compound Namemethyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide
PubChem CID159878285
Molecular FormulaC120H141N9O11
Molecular Weight1885.50 g/mol
Exact Mass1884.08
IUPAC Namemethyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide
SMILESC=CC(=O)OC.CC1CCCCN1C(=O)CCNc1cccc(-c2ccccc2)c1.CC1CCCCN1CCCNc1cccc(-c2ccccc2)c1.COC(=O)CCNc1cccc(-c2ccccc2)c1.COc1cc(C(=O)N(CCCN2CCCCC2C)c2cccc(-c3ccccc3)c2)cc(OC)c1OC.Nc1cccc(-c2ccccc2)c1.O=C(O)CCNc1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H38N2O4.C21H26N2O.C21H28N2.C16H17NO2.C15H15NO2.C12H11N.C4H6O2/c1-23-12-8-9-17-32(23)18-11-19-33(27-16-10-15-25(20-27)24-13-6-5-7-14-24)31(34)26-21-28(35-2)30(37-4)29(22-26)36-3;1-17-8-5-6-15-23(17)21(24)13-14-22-20-12-7-11-19(16-20)18-9-3-2-4-10-18;1-18-9-5-6-15-23(18)16-8-14-22-21-13-7-12-20(17-21)19-10-3-2-4-11-19;1-19-16(18)10-11-17-15-9-5-8-14(12-15)13-6-3-2-4-7-13;17-15(18)9-10-16-14-8-4-7-13(11-14)12-5-2-1-3-6-12;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-3-4(5)6-2/h5-7,10,13-16,20-23H,8-9,11-12,17-19H2,1-4H3;2-4,7,9-12,16-17,22H,5-6,8,13-15H2,1H3;2-4,7,10-13,17-18,22H,5-6,8-9,14-16H2,1H3;2-9,12,17H,10-11H2,1H3;1-8,11,16H,9-10H2,(H,17,18);1-9H,13H2;3H,1H2,2H3
InChIKeyNTESEACYWDQMJT-UHFFFAOYSA-N
XLogP25.73
TPSA238.83 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001885.50
LogP ≤ 525.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide with MolForge

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Related Compounds

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N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
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1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
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CID 54881953
3-(5-amino-2,3-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071334
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
3,4,5-trimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057957
3,4,5-trimethoxy-N-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 91252358
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
(2S)-N,N-dimethyl-1-[3-[(2-methyl-3-phenylprop-2-enyl)-(3,4,5-trimethoxybenzoyl)amino]propyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide?
The IUPAC name of methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide (CID 159878285) is methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide.
What is the SMILES notation for methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide?
The canonical SMILES for methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide is C=CC(=O)OC.CC1CCCCN1C(=O)CCNc1cccc(-c2ccccc2)c1.CC1CCCCN1CCCNc1cccc(-c2ccccc2)c1.COC(=O)CCNc1cccc(-c2ccccc2)c1.COc1cc(C(=O)N(CCCN2CCCCC2C)c2cccc(-c3ccccc3)c2)cc(OC)c1OC.Nc1cccc(-c2ccccc2)c1.O=C(O)CCNc1cccc(-c2ccccc2)c1.
What is the InChIKey of methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide?
The InChIKey is NTESEACYWDQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O4.C21H26N2O.C21H28N2.C16H17NO2.C15H15NO2.C12H11N.C4H6O2/c1-23-12-8-9-17-32(23)18-11-19-33(27-16-10-15-25(20-27)24-13-6-5-7-14-24)31(34)26-21-28(35-2)30(37-4)29(22-26)36-3;1-17-8-5-6-15-23(17)21(24)13-14-22-20-12-7-11-19(16-20)18-9-3-2-4-10-18;1-18-9-5-6-15-23(18)16-8-14-22-21-13-7-12-20(17-21)19-10-3-2-4-11-19;1-19-16(18)10-11-17-15-9-5-8-14(12-15)13-6-3-2-4-7-13;17-15(18)9-10-16-14-8-4-7-13(11-14)12-5-2-1-3-6-12;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-3-4(5)6-2/h5-7,10,13-16,20-23H,8-9,11-12,17-19H2,1-4H3;2-4,7,9-12,16-17,22H,5-6,8,13-15H2,1H3;2-4,7,10-13,17-18,22H,5-6,8-9,14-16H2,1H3;2-9,12,17H,10-11H2,1H3;1-8,11,16H,9-10H2,(H,17,18);1-9H,13H2;3H,1H2,2H3.
What are the key properties of methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide?
methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide has a molecular weight of 1885.50 g/mol, XLogP of 25.73, 33 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 159878285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).