2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide

C18H21N3O2 — CID 42068134

IUPAC2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-12-19-18(23)21-17(22)13-20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3,(H2,19,21,22,23)
InChIKeyOSDWETBDJDPIGC-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide

2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide (PubChem CID 42068134) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
PubChem CID42068134
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-12-19-18(23)21-17(22)13-20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3,(H2,19,21,22,23)
InChIKeyOSDWETBDJDPIGC-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 41397473
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
methyl 2-(2-phenylanilino)acetate
CID 28569437
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
CID 134008013
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
CID 60602911
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide (CID 42068134) is 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide?
The InChIKey is OSDWETBDJDPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-12-19-18(23)21-17(22)13-20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3,(H2,19,21,22,23).
What are the key properties of 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide?
2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 42068134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).