N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide

C15H21N3O — CID 60688303

IUPACN-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
SMILESCC(CCc1ccccc1)NCC(=O)NCCC#N
InChIInChI=1S/C15H21N3O/c1-13(8-9-14-6-3-2-4-7-14)18-12-15(19)17-11-5-10-16/h2-4,6-7,13,18H,5,8-9,11-12H2,1H3,(H,17,19)
InChIKeyCAAFLOYOIMURNN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.63
Rot. Bonds8

About N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide

N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide (PubChem CID 60688303) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
PubChem CID60688303
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
SMILESCC(CCc1ccccc1)NCC(=O)NCCC#N
InChIInChI=1S/C15H21N3O/c1-13(8-9-14-6-3-2-4-7-14)18-12-15(19)17-11-5-10-16/h2-4,6-7,13,18H,5,8-9,11-12H2,1H3,(H,17,19)
InChIKeyCAAFLOYOIMURNN-UHFFFAOYSA-N
XLogP1.63
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
CID 62995123
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60697385
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide (CID 60688303) is N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide is CC(CCc1ccccc1)NCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide?
The InChIKey is CAAFLOYOIMURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(8-9-14-6-3-2-4-7-14)18-12-15(19)17-11-5-10-16/h2-4,6-7,13,18H,5,8-9,11-12H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide?
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide is sourced from PubChem (CID 60688303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).