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

C17H21N3O — CID 64522146

IUPACN-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(CC1CC1)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(20(15-8-9-15)11-13-6-7-13)17(21)19-16-5-3-2-4-14(16)10-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,19,21)
InChIKeyQDTBLGKSDYEJHS-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide (PubChem CID 64522146) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
PubChem CID64522146
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(CC1CC1)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(20(15-8-9-15)11-13-6-7-13)17(21)19-16-5-3-2-4-14(16)10-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,19,21)
InChIKeyQDTBLGKSDYEJHS-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
N-(2-cyanophenyl)-2-cyclobutyloxypropanamide
CID 55041309
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide (CID 64522146) is N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(CC1CC1)C1CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide?
The InChIKey is QDTBLGKSDYEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(20(15-8-9-15)11-13-6-7-13)17(21)19-16-5-3-2-4-14(16)10-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide?
N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide is sourced from PubChem (CID 64522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).