(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide

C16H26N2OS — CID 104909056

IUPAC(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,11-9-13-7-5-4-6-8-13)18-15(19)14(17)10-12-20-3/h4-8,14H,9-12,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyFIICLBHRTCKSRM-CQSZACIVSA-N
MW294.46 g/mol
LogP2.59
Rot. Bonds8

About (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 104909056) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID104909056
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,11-9-13-7-5-4-6-8-13)18-15(19)14(17)10-12-20-3/h4-8,14H,9-12,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyFIICLBHRTCKSRM-CQSZACIVSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide (CID 104909056) is (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is FIICLBHRTCKSRM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,11-9-13-7-5-4-6-8-13)18-15(19)14(17)10-12-20-3/h4-8,14H,9-12,17H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 294.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104909056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).