4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide

C13H19NO3 — CID 18892567

IUPAC4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-9-7-11(5-6-12(9)17-4)13(15)14-10(2)8-16-3/h5-7,10H,8H2,1-4H3,(H,14,15)
InChIKeyHGCIXAOHDUYHNP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds5

About 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide

4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide (PubChem CID 18892567) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
PubChem CID18892567
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-9-7-11(5-6-12(9)17-4)13(15)14-10(2)8-16-3/h5-7,10H,8H2,1-4H3,(H,14,15)
InChIKeyHGCIXAOHDUYHNP-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
CID 133179107
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
CID 133161789
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide (CID 18892567) is 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide is COCC(C)NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The InChIKey is HGCIXAOHDUYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-11(5-6-12(9)17-4)13(15)14-10(2)8-16-3/h5-7,10H,8H2,1-4H3,(H,14,15).
What are the key properties of 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 18892567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).