N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide

C17H23N3O — CID 107398731

IUPACN-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C#N)cc1)CC1CCC1
InChIInChI=1S/C17H23N3O/c1-2-20(13-15-4-3-5-15)11-10-17(21)19-16-8-6-14(12-18)7-9-16/h6-9,15H,2-5,10-11,13H2,1H3,(H,19,21)
InChIKeyNJKKPKXRIOSQQI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds7

About N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide

N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide (PubChem CID 107398731) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
PubChem CID107398731
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C#N)cc1)CC1CCC1
InChIInChI=1S/C17H23N3O/c1-2-20(13-15-4-3-5-15)11-10-17(21)19-16-8-6-14(12-18)7-9-16/h6-9,15H,2-5,10-11,13H2,1H3,(H,19,21)
InChIKeyNJKKPKXRIOSQQI-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273712
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide (CID 107398731) is N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(C#N)cc1)CC1CCC1.
What is the InChIKey of N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide?
The InChIKey is NJKKPKXRIOSQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(13-15-4-3-5-15)11-10-17(21)19-16-8-6-14(12-18)7-9-16/h6-9,15H,2-5,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide?
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide is sourced from PubChem (CID 107398731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).