(N-carbamoyl-3-methylanilino) 2-phenylacetate

C16H16N2O3 — CID 57122340

IUPAC(N-carbamoyl-3-methylanilino) 2-phenylacetate
SMILESCc1cccc(N(OC(=O)Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-12-6-5-9-14(10-12)18(16(17)20)21-15(19)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,17,20)
InChIKeySUHHLSNBUKULBF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.58
Rot. Bonds3

About (N-carbamoyl-3-methylanilino) 2-phenylacetate

(N-carbamoyl-3-methylanilino) 2-phenylacetate (PubChem CID 57122340) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (N-carbamoyl-3-methylanilino) 2-phenylacetate.

Molecular Properties

Compound Name(N-carbamoyl-3-methylanilino) 2-phenylacetate
PubChem CID57122340
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(N-carbamoyl-3-methylanilino) 2-phenylacetate
SMILESCc1cccc(N(OC(=O)Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-12-6-5-9-14(10-12)18(16(17)20)21-15(19)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,17,20)
InChIKeySUHHLSNBUKULBF-UHFFFAOYSA-N
XLogP2.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
1-phenyl-1-(1-phenylpropan-2-yloxy)urea
CID 88763231
1-methoxy-1-phenylurea
CID 15620442
[methyl(phenylmethoxycarbonyl)amino] 3-methylbenzoate
CID 174511037
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384

Frequently Asked Questions

What is the IUPAC name of (N-carbamoyl-3-methylanilino) 2-phenylacetate?
The IUPAC name of (N-carbamoyl-3-methylanilino) 2-phenylacetate (CID 57122340) is (N-carbamoyl-3-methylanilino) 2-phenylacetate.
What is the SMILES notation for (N-carbamoyl-3-methylanilino) 2-phenylacetate?
The canonical SMILES for (N-carbamoyl-3-methylanilino) 2-phenylacetate is Cc1cccc(N(OC(=O)Cc2ccccc2)C(N)=O)c1.
What is the InChIKey of (N-carbamoyl-3-methylanilino) 2-phenylacetate?
The InChIKey is SUHHLSNBUKULBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-6-5-9-14(10-12)18(16(17)20)21-15(19)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,17,20).
What are the key properties of (N-carbamoyl-3-methylanilino) 2-phenylacetate?
(N-carbamoyl-3-methylanilino) 2-phenylacetate has a molecular weight of 284.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-carbamoyl-3-methylanilino) 2-phenylacetate is sourced from PubChem (CID 57122340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).