N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide

C12H18N2O2 — CID 104552913

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14(3)12(16)10-6-4-5-7-11(10)13-2/h4-7,9,13,15H,8H2,1-3H3
InChIKeyGLTZLJGQDYTUGV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.18
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide (PubChem CID 104552913) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
PubChem CID104552913
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14(3)12(16)10-6-4-5-7-11(10)13-2/h4-7,9,13,15H,8H2,1-3H3
InChIKeyGLTZLJGQDYTUGV-UHFFFAOYSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide (CID 104552913) is N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide is CNc1ccccc1C(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The InChIKey is GLTZLJGQDYTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-15)14(3)12(16)10-6-4-5-7-11(10)13-2/h4-7,9,13,15H,8H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 104552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).