(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide

C13H20N2O2 — CID 103930188

IUPAC(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cccc(NC(=O)[C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C13H20N2O2/c1-8-6-5-7-9(10(8)16)15-12(17)11(14)13(2,3)4/h5-7,11,16H,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyXXSIENUSDIKIBG-NSHDSACASA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds2

About (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 103930188) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
PubChem CID103930188
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cccc(NC(=O)[C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C13H20N2O2/c1-8-6-5-7-9(10(8)16)15-12(17)11(14)13(2,3)4/h5-7,11,16H,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyXXSIENUSDIKIBG-NSHDSACASA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylbenzoic acid
CID 61153924
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide (CID 103930188) is (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide is Cc1cccc(NC(=O)[C@H](N)C(C)(C)C)c1O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is XXSIENUSDIKIBG-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-5-7-9(10(8)16)15-12(17)11(14)13(2,3)4/h5-7,11,16H,14H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103930188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).