(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

C15H24N2O — CID 81356570

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-10-6-8-12(9-7-10)11(2)17-14(18)13(16)15(3,4)5/h6-9,11,13H,16H2,1-5H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyRFQXJZNXZQWGNM-WCQYABFASA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 81356570) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID81356570
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-10-6-8-12(9-7-10)11(2)17-14(18)13(16)15(3,4)5/h6-9,11,13H,16H2,1-5H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyRFQXJZNXZQWGNM-WCQYABFASA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (CID 81356570) is (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is Cc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is RFQXJZNXZQWGNM-WCQYABFASA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-8-12(9-7-10)11(2)17-14(18)13(16)15(3,4)5/h6-9,11,13H,16H2,1-5H3,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 81356570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).