2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide

C15H24N2O — CID 93035071

IUPAC2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN[C@@H](C)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)17-15(18)11-16-13(3)9-10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyDYFXDMWXZQKWTJ-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds7

About 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide

2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide (PubChem CID 93035071) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
PubChem CID93035071
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN[C@@H](C)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)17-15(18)11-16-13(3)9-10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyDYFXDMWXZQKWTJ-ZDUSSCGKSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide 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-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide (CID 93035071) is 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is DYFXDMWXZQKWTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17-15(18)11-16-13(3)9-10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide?
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 93035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).