N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide

C17H23N3O — CID 60689300

IUPACN-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H23N3O/c1-3-10-20(12-14-8-9-14)13(2)17(21)19-16-7-5-4-6-15(16)11-18/h4-7,13-14H,3,8-10,12H2,1-2H3,(H,19,21)
InChIKeyJSLPUMJJDTVOFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds7

About N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide

N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (PubChem CID 60689300) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
PubChem CID60689300
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H23N3O/c1-3-10-20(12-14-8-9-14)13(2)17(21)19-16-7-5-4-6-15(16)11-18/h4-7,13-14H,3,8-10,12H2,1-2H3,(H,19,21)
InChIKeyJSLPUMJJDTVOFS-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-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
CID 64522146
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
(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-[cyclopropylmethyl(propyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (CID 60689300) is N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide is CCCN(CC1CC1)C(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The InChIKey is JSLPUMJJDTVOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-20(12-14-8-9-14)13(2)17(21)19-16-7-5-4-6-15(16)11-18/h4-7,13-14H,3,8-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)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-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 60689300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).