N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide

C13H15N3O — CID 43243615

IUPACN-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C13H15N3O/c1-16(12-6-7-12)9-13(17)15-11-4-2-10(8-14)3-5-11/h2-5,12H,6-7,9H2,1H3,(H,15,17)
InChIKeyBMHPQCXSJKQVGQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.59
Rot. Bonds4

About N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide

N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide (PubChem CID 43243615) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
PubChem CID43243615
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C13H15N3O/c1-16(12-6-7-12)9-13(17)15-11-4-2-10(8-14)3-5-11/h2-5,12H,6-7,9H2,1H3,(H,15,17)
InChIKeyBMHPQCXSJKQVGQ-UHFFFAOYSA-N
XLogP1.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82738996
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
CID 113166246
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide (CID 43243615) is N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide?
The InChIKey is BMHPQCXSJKQVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(12-6-7-12)9-13(17)15-11-4-2-10(8-14)3-5-11/h2-5,12H,6-7,9H2,1H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide?
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide is sourced from PubChem (CID 43243615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).