(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide

C16H26N2O — CID 104863039

IUPAC(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)14(17)15(19)18-16(3,4)11-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyDIBZKYZLCUZEBT-AWEZNQCLSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide

(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide (PubChem CID 104863039) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
PubChem CID104863039
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)14(17)15(19)18-16(3,4)11-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyDIBZKYZLCUZEBT-AWEZNQCLSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide (CID 104863039) is (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide is CC(C)[C@H](N)C(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide?
The InChIKey is DIBZKYZLCUZEBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14(17)15(19)18-16(3,4)11-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide?
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 104863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).