N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide

C15H19N3O — CID 43264950

IUPACN-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-18(14-8-9-14)10-2-3-15(19)17-13-6-4-12(11-16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyPMWSQZLLWYIALP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds6

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

N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide (PubChem CID 43264950) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
PubChem CID43264950
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-18(14-8-9-14)10-2-3-15(19)17-13-6-4-12(11-16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyPMWSQZLLWYIALP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)pentanamide
CID 2162994
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
CID 91838383
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide (CID 43264950) is N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
The InChIKey is PMWSQZLLWYIALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(14-8-9-14)10-2-3-15(19)17-13-6-4-12(11-16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide?
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide is sourced from PubChem (CID 43264950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).