N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide

C15H19N3O — CID 43264184

IUPACN-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(13-7-8-13)10-9-15(19)17-14-6-4-3-5-12(14)11-16/h3-6,13H,2,7-10H2,1H3,(H,17,19)
InChIKeyCDKJCRRQBGIXEO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds6

About N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide

N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide (PubChem CID 43264184) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
PubChem CID43264184
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-18(13-7-8-13)10-9-15(19)17-14-6-4-3-5-12(14)11-16/h3-6,13H,2,7-10H2,1H3,(H,17,19)
InChIKeyCDKJCRRQBGIXEO-UHFFFAOYSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide (CID 43264184) is N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1ccccc1C#N)C1CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
The InChIKey is CDKJCRRQBGIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(13-7-8-13)10-9-15(19)17-14-6-4-3-5-12(14)11-16/h3-6,13H,2,7-10H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide?
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide is sourced from PubChem (CID 43264184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).