ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate

C20H23NO3 — CID 5207633

IUPACethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H23NO3/c1-4-24-19(22)13-18(16-9-5-14(2)6-10-16)21-20(23)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyJMUDOPNJLMACFX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.73
Rot. Bonds6

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

ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 5207633) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID5207633
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H23NO3/c1-4-24-19(22)13-18(16-9-5-14(2)6-10-16)21-20(23)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyJMUDOPNJLMACFX-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenylethyl)benzamide
CID 723105
(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
Rpr128515
CID 5497056
Npc171139
CID 9832120
Benzoyl-L-phenylalanine
CID 97370
Aurantiamide Acetate
CID 10026486
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-Benzoyl-L-phenylalaninol
CID 852848
Methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoate
CID 5107
3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
N-(3-phenylpropyl)-4-(propan-2-yl)benzamide
CID 2169905

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 5207633) is ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is JMUDOPNJLMACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-24-19(22)13-18(16-9-5-14(2)6-10-16)21-20(23)17-11-7-15(3)8-12-17/h5-12,18H,4,13H2,1-3H3,(H,21,23).
What are the key properties of ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 325.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 5207633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).