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

C20H22N2O4 — CID 48637923

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 Nameethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID48637923
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 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
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
ethyl 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 22608684
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087
(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 941056
ethyl 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3,5-dichlorophenyl)propanoate
CID 19357369
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
methyl 3-phenyl-3-[(3-prop-2-enoxyphenyl)carbamoylamino]propanoate
CID 60577677

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).