N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide

C16H21N3O — CID 62860786

IUPACN-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC1CCC1
InChIInChI=1S/C16H21N3O/c1-12(19(2)11-13-6-5-7-13)16(20)18-15-9-4-3-8-14(15)10-17/h3-4,8-9,12-13H,5-7,11H2,1-2H3,(H,18,20)
InChIKeyGJPZQMXGOSVSTD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds5

About N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide

N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide (PubChem CID 62860786) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
PubChem CID62860786
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC1CCC1
InChIInChI=1S/C16H21N3O/c1-12(19(2)11-13-6-5-7-13)16(20)18-15-9-4-3-8-14(15)10-17/h3-4,8-9,12-13H,5-7,11H2,1-2H3,(H,18,20)
InChIKeyGJPZQMXGOSVSTD-UHFFFAOYSA-N
XLogP2.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
CID 64522146
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 41337356
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide (CID 62860786) is N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(C)CC1CCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide?
The InChIKey is GJPZQMXGOSVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(19(2)11-13-6-5-7-13)16(20)18-15-9-4-3-8-14(15)10-17/h3-4,8-9,12-13H,5-7,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide?
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 62860786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).