Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate

Name: Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂N₂O₄ — CID 48637923

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate

SMILESCCOC(=O)CC(NC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1

InChIInChI=1S/C20H22N2O4/c1-3-26-19(24)13-18(15-8-5-4-6-9-15)22-20(25)21-17-11-7-10-16(12-17)14(2)23/h4-12,18H,3,13H2,1-2H3,(H2,21,22,25)

InChIKeyDPLVCUIDTJCIAB-UHFFFAOYSA-N

MW354.41 g/mol

LogP3.71

Rot. Bonds7

About Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate

Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 48637923) has the molecular formula C₂₀H₂₂N₂O₄ and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name	Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID	48637923
Molecular Formula	C₂₀H₂₂N₂O₄
Molecular Weight	354.41 g/mol
Exact Mass	354.16
IUPAC Name	ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
SMILES	CCOC(=O)CC(NC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1
InChI	InChI=1S/C20H22N2O4/c1-3-26-19(24)13-18(15-8-5-4-6-9-15)22-20(25)21-17-11-7-10-16(12-17)14(2)23/h4-12,18H,3,13H2,1-2H3,(H2,21,22,25)
InChIKey	DPLVCUIDTJCIAB-UHFFFAOYSA-N
XLogP	3.71
TPSA	84.50 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate?

The IUPAC name of Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate (CID 48637923) is ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate.

What is the SMILES notation for Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate?

The canonical SMILES for Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate is CCOC(=O)CC(NC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1.

What is the InChIKey of Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate?

The InChIKey is DPLVCUIDTJCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-19(24)13-18(15-8-5-4-6-9-15)22-20(25)21-17-11-7-10-16(12-17)14(2)23/h4-12,18H,3,13H2,1-2H3,(H2,21,22,25).

What are the key properties of Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate?

Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 354.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 48637923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 48637923 — identifiers, structure, computed properties (public domain)

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