N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide

C13H19NO2 — CID 5390617

IUPACN-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(7-10(9)2)13(15)14-11(3)8-16-4/h5-7,11H,8H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyYAAFCZCVBANHHQ-LLVKDONJSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide

N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide (PubChem CID 5390617) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
PubChem CID5390617
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(7-10(9)2)13(15)14-11(3)8-16-4/h5-7,11H,8H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyYAAFCZCVBANHHQ-LLVKDONJSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
3-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)-4-methylbenzamide
CID 81476031
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133254157
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086949
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide (CID 5390617) is N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide is COC[C@@H](C)NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide?
The InChIKey is YAAFCZCVBANHHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-6-12(7-10(9)2)13(15)14-11(3)8-16-4/h5-7,11H,8H2,1-4H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide?
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 5390617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).