2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide

C11H16N2O2 — CID 93081123

IUPAC2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H16N2O2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyOLKANONONXOHTI-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide

2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide (PubChem CID 93081123) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
PubChem CID93081123
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H16N2O2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyOLKANONONXOHTI-QMMMGPOBSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
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

2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 130618692
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
methyl 2-[(2-amino-6-methylbenzoyl)amino]-3-methylbutanoate
CID 43451998
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110015228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide (CID 93081123) is 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)N[C@@H](C)CO.
What is the InChIKey of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The InChIKey is OLKANONONXOHTI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide is sourced from PubChem (CID 93081123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).