ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate

C20H22N2O4 — CID 17186762

IUPACethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccccc1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-22(15-10-6-5-7-11-15)20(25)16-12-8-9-13-17(16)21-18(23)14-19(24)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyNTLKILPDGPPPLO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.24
Rot. Bonds7

About ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate

ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate (PubChem CID 17186762) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
PubChem CID17186762
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccccc1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-22(15-10-6-5-7-11-15)20(25)16-12-8-9-13-17(16)21-18(23)14-19(24)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23)
InChIKeyNTLKILPDGPPPLO-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 17186685
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
CID 17186609
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17189648
3-phenylpropyl 4-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 17186834
ethyl 3-anilino-3-oxopropanoate
CID 3016808
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate
CID 17186901
N-ethyl-2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenylbenzamide
CID 17186678
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate (CID 17186762) is ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1ccccc1C(=O)N(CC)c1ccccc1.
What is the InChIKey of ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate?
The InChIKey is NTLKILPDGPPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-22(15-10-6-5-7-11-15)20(25)16-12-8-9-13-17(16)21-18(23)14-19(24)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate?
ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate has a molecular weight of 354.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate is sourced from PubChem (CID 17186762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).