(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide

C17H28N2O — CID 104984745

IUPAC(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(CNC(=O)[C@@H](N)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(17(2,3)4)12-19-16(20)15(18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyPVQWAGMKMGZRCG-WUJWULDRSA-N
MW276.42 g/mol
LogP2.74
Rot. Bonds6

About (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide

(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide (PubChem CID 104984745) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
PubChem CID104984745
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(CNC(=O)[C@@H](N)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(17(2,3)4)12-19-16(20)15(18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyPVQWAGMKMGZRCG-WUJWULDRSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-4-phenylbutanoyl)amino]-3-methylbutanoic acid
CID 114929069
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide (CID 104984745) is (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide is CC(CNC(=O)[C@@H](N)CCc1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide?
The InChIKey is PVQWAGMKMGZRCG-WUJWULDRSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(17(2,3)4)12-19-16(20)15(18)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide?
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide has a molecular weight of 276.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide is sourced from PubChem (CID 104984745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).