2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide

C17H25N3O — CID 114926898

IUPAC2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CN(CCC#N)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(2)13-20(12-6-11-18)17(21)16(19)10-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-10,12-13,19H2,1-2H3
InChIKeyKPXUWNIWEUHZDE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.34
Rot. Bonds8

About 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide (PubChem CID 114926898) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
PubChem CID114926898
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CN(CCC#N)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(2)13-20(12-6-11-18)17(21)16(19)10-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-10,12-13,19H2,1-2H3
InChIKeyKPXUWNIWEUHZDE-UHFFFAOYSA-N
XLogP2.34
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-4-oxobutanoate
CID 114274709
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 104984034
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide (CID 114926898) is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide is CC(C)CN(CCC#N)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The InChIKey is KPXUWNIWEUHZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(2)13-20(12-6-11-18)17(21)16(19)10-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-10,12-13,19H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide has a molecular weight of 287.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 114926898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).