ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate

C23H24N2O4 — CID 55879744

IUPACethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(OC)c1
InChIInChI=1S/C23H24N2O4/c1-3-29-22(26)16-21(18-7-6-8-20(15-18)28-2)24-23(27)17-9-11-19(12-10-17)25-13-4-5-14-25/h4-15,21H,3,16H2,1-2H3,(H,24,27)
InChIKeyHQXHAWIXEAYOGN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds8

About ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate

ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate (PubChem CID 55879744) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
PubChem CID55879744
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(OC)c1
InChIInChI=1S/C23H24N2O4/c1-3-29-22(26)16-21(18-7-6-8-20(15-18)28-2)24-23(27)17-9-11-19(12-10-17)25-13-4-5-14-25/h4-15,21H,3,16H2,1-2H3,(H,24,27)
InChIKeyHQXHAWIXEAYOGN-UHFFFAOYSA-N
XLogP3.91
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55876426
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl 3-[(4-ethoxy-3-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878599
ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55879747
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl 3-[(3-fluoro-4-methyl-5-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878610
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
(1,3-dioxoisoindol-2-yl)methyl 3-benzamido-3-(3-methoxyphenyl)propanoate
CID 171980317
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 47926217

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate (CID 55879744) is ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate is CCOC(=O)CC(NC(=O)c1ccc(-n2cccc2)cc1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The InChIKey is HQXHAWIXEAYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-29-22(26)16-21(18-7-6-8-20(15-18)28-2)24-23(27)17-9-11-19(12-10-17)25-13-4-5-14-25/h4-15,21H,3,16H2,1-2H3,(H,24,27).
What are the key properties of ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate?
ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate has a molecular weight of 392.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 55879744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).