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

C11H16N2O2 — CID 93081126

IUPAC3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1N
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyDLBHATCBBXMRGA-MRVPVSSYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds3

About 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (PubChem CID 93081126) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
PubChem CID93081126
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1N
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyDLBHATCBBXMRGA-MRVPVSSYSA-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

3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
3-amino-4-methyl-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493365
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (CID 93081126) is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)CO)cc1N.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The InChIKey is DLBHATCBBXMRGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-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 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 93081126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).