(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide

C18H30N2O — CID 61155123

IUPAC(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-15(19)17(21)20-16(12-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,19H2,1-5H3,(H,20,21)/t15-,16?/m0/s1
InChIKeyCPSYQZPJFNUFJR-VYRBHSGPSA-N
MW290.45 g/mol
LogP3.65
Rot. Bonds6

About (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide

(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide (PubChem CID 61155123) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
PubChem CID61155123
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-15(19)17(21)20-16(12-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,19H2,1-5H3,(H,20,21)/t15-,16?/m0/s1
InChIKeyCPSYQZPJFNUFJR-VYRBHSGPSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
(3S)-3-[[(2S,3S,4R,5S)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CID 11113216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide (CID 61155123) is (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide?
The InChIKey is CPSYQZPJFNUFJR-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)11-15(19)17(21)20-16(12-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,19H2,1-5H3,(H,20,21)/t15-,16?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide?
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide is sourced from PubChem (CID 61155123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).