ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate

C20H23NO4 — CID 4042935

IUPACethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-9-11-16(24-3)12-10-15)21-20(23)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyGMRCQRLVBPLOCH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds7

About ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate

ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 4042935) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
PubChem CID4042935
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-9-11-16(24-3)12-10-15)21-20(23)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyGMRCQRLVBPLOCH-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate
CID 7044549
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 134015725

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate (CID 4042935) is ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate is CCOC(=O)CC(NC(=O)c1ccccc1C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is GMRCQRLVBPLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-9-11-16(24-3)12-10-15)21-20(23)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,23).
What are the key properties of ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate?
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 4042935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).