3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide

C15H23N3O2 — CID 106276438

IUPAC3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)C(N)CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-15(2,14(17)20)10-18-13(19)12(16)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyOSMLRGDXVVFGGN-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.57
Rot. Bonds7

About 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide

3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide (PubChem CID 106276438) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
PubChem CID106276438
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)C(N)CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-15(2,14(17)20)10-18-13(19)12(16)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyOSMLRGDXVVFGGN-UHFFFAOYSA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide (CID 106276438) is 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)C(N)CCc1ccccc1)C(N)=O.
What is the InChIKey of 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide?
The InChIKey is OSMLRGDXVVFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,14(17)20)10-18-13(19)12(16)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,16H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide?
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).