[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate

C20H20N2O4 — CID 87006539

IUPAC[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
SMILESCN(CC(=O)Oc1cccc(C(=O)NC2CC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-22(20(25)14-6-3-2-4-7-14)13-18(23)26-17-9-5-8-15(12-17)19(24)21-16-10-11-16/h2-9,12,16H,10-11,13H2,1H3,(H,21,24)
InChIKeyPWZOAEPVSZXZIS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.26
Rot. Bonds6

About [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate

[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate (PubChem CID 87006539) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate.

Molecular Properties

Compound Name[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
PubChem CID87006539
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
SMILESCN(CC(=O)Oc1cccc(C(=O)NC2CC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-22(20(25)14-6-3-2-4-7-14)13-18(23)26-17-9-5-8-15(12-17)19(24)21-16-10-11-16/h2-9,12,16H,10-11,13H2,1H3,(H,21,24)
InChIKeyPWZOAEPVSZXZIS-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
CID 86812608
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
CID 60522738
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 87006531
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46565897
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate?
The IUPAC name of [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate (CID 87006539) is [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate.
What is the SMILES notation for [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate?
The canonical SMILES for [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate is CN(CC(=O)Oc1cccc(C(=O)NC2CC2)c1)C(=O)c1ccccc1.
What is the InChIKey of [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate?
The InChIKey is PWZOAEPVSZXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22(20(25)14-6-3-2-4-7-14)13-18(23)26-17-9-5-8-15(12-17)19(24)21-16-10-11-16/h2-9,12,16H,10-11,13H2,1H3,(H,21,24).
What are the key properties of [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate?
[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate is sourced from PubChem (CID 87006539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).