2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide

C15H19N3O — CID 62302192

IUPAC2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(CC#N)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(14-7-8-14)15(19)11-17-13-5-3-12(4-6-13)9-10-16/h3-6,14,17H,2,7-9,11H2,1H3
InChIKeyCIHOWEJYQGHGEJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide

2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 62302192) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide
PubChem CID62302192
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(CC#N)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(14-7-8-14)15(19)11-17-13-5-3-12(4-6-13)9-10-16/h3-6,14,17H,2,7-9,11H2,1H3
InChIKeyCIHOWEJYQGHGEJ-UHFFFAOYSA-N
XLogP2.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
CID 54956869
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
3-[4-(cyanomethyl)phenyl]-1-cyclohexyl-1-(2-hydroxypropyl)urea
CID 86784494
4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268731
2-anilino-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 60938792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide (CID 62302192) is 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CNc1ccc(CC#N)cc1)C1CC1.
What is the InChIKey of 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is CIHOWEJYQGHGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(14-7-8-14)15(19)11-17-13-5-3-12(4-6-13)9-10-16/h3-6,14,17H,2,7-9,11H2,1H3.
What are the key properties of 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 62302192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).