N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide

C16H21N3O — CID 43264179

IUPACN-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C16H21N3O/c1-2-19(15-8-9-15)10-4-7-16(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11,15H,2,4,7-10H2,1H3,(H,18,20)
InChIKeyCHWJLTJGWUYMQQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds7

About N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide

N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide (PubChem CID 43264179) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
PubChem CID43264179
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C16H21N3O/c1-2-19(15-8-9-15)10-4-7-16(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11,15H,2,4,7-10H2,1H3,(H,18,20)
InChIKeyCHWJLTJGWUYMQQ-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 109003480
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
CID 106201586
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide (CID 43264179) is N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide is CCN(CCCC(=O)Nc1cccc(C#N)c1)C1CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide?
The InChIKey is CHWJLTJGWUYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19(15-8-9-15)10-4-7-16(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11,15H,2,4,7-10H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide?
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide is sourced from PubChem (CID 43264179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).