4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide

C12H18N2O2 — CID 107211238

IUPAC4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O2/c1-3-10(7-15)14-12(16)11-5-4-9(13)6-8(11)2/h4-6,10,15H,3,7,13H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyANDQGSZZLLZUIM-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide

4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide (PubChem CID 107211238) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
PubChem CID107211238
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O2/c1-3-10(7-15)14-12(16)11-5-4-9(13)6-8(11)2/h4-6,10,15H,3,7,13H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyANDQGSZZLLZUIM-SNVBAGLBSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide (CID 107211238) is 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide is CC[C@H](CO)NC(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide?
The InChIKey is ANDQGSZZLLZUIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10(7-15)14-12(16)11-5-4-9(13)6-8(11)2/h4-6,10,15H,3,7,13H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide?
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 107211238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).