(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide

C14H22N2O2 — CID 61149030

IUPAC(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-9-6-7-11(18-5)10(8-9)16-13(17)12(15)14(2,3)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyCPMLCDPTJRZRNX-GFCCVEGCSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds3

About (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 61149030) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
PubChem CID61149030
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-9-6-7-11(18-5)10(8-9)16-13(17)12(15)14(2,3)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyCPMLCDPTJRZRNX-GFCCVEGCSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide (CID 61149030) is (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide is COc1ccc(C)cc1NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is CPMLCDPTJRZRNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-7-11(18-5)10(8-9)16-13(17)12(15)14(2,3)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61149030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).