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

C11H16N2O2 — CID 797114

IUPAC4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyGAMWLCYIWNUQSS-SNVBAGLBSA-N
MW208.26 g/mol
LogP0.77
Rot. Bonds4

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

4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 797114) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID797114
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyGAMWLCYIWNUQSS-SNVBAGLBSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 797114) is 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is GAMWLCYIWNUQSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 208.26 g/mol, XLogP of 0.77, 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]benzamide is sourced from PubChem (CID 797114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).