N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide

C16H20N2O — CID 54997695

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
SMILESCCC(C(=O)N(CCC#N)C1CC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18(12-6-11-17)14-9-10-14/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3
InChIKeyVCPBKGJHILQEOE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide

N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide (PubChem CID 54997695) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
PubChem CID54997695
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
SMILESCCC(C(=O)N(CCC#N)C1CC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18(12-6-11-17)14-9-10-14/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3
InChIKeyVCPBKGJHILQEOE-UHFFFAOYSA-N
XLogP3.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
CID 63753534
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
N-(2-cyanoethyl)-N-cyclopropyl-2-iodo-3-methylbenzamide
CID 113239856
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
CID 62854021
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide (CID 54997695) is N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide is CCC(C(=O)N(CCC#N)C1CC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide?
The InChIKey is VCPBKGJHILQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18(12-6-11-17)14-9-10-14/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide is sourced from PubChem (CID 54997695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).