2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide

C11H16N2O3 — CID 65310154

IUPAC2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CO)CO)c1N
InChIInChI=1S/C11H16N2O3/c1-7-3-2-4-9(10(7)12)11(16)13-8(5-14)6-15/h2-4,8,14-15H,5-6,12H2,1H3,(H,13,16)
InChIKeyXXMDIHRQMVKGJS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.34
Rot. Bonds4

About 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide

2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide (PubChem CID 65310154) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide
PubChem CID65310154
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CO)CO)c1N
InChIInChI=1S/C11H16N2O3/c1-7-3-2-4-9(10(7)12)11(16)13-8(5-14)6-15/h2-4,8,14-15H,5-6,12H2,1H3,(H,13,16)
InChIKeyXXMDIHRQMVKGJS-UHFFFAOYSA-N
XLogP-0.34
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
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3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
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3-(2-amino-3-methylphenyl)-3-oxopropanoic acid
CID 105446835
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
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2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
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CID 106139307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide (CID 65310154) is 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC(CO)CO)c1N.
What is the InChIKey of 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide?
The InChIKey is XXMDIHRQMVKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-3-2-4-9(10(7)12)11(16)13-8(5-14)6-15/h2-4,8,14-15H,5-6,12H2,1H3,(H,13,16).
What are the key properties of 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide?
2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide has a molecular weight of 224.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 65310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).