3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide

C13H19NO3 — CID 86920278

IUPAC3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14(3)13(15)10-6-11(16-4)8-12(7-10)17-5/h6-9H,1-5H3
InChIKeyJKGXEDJRLMNIJV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.18
Rot. Bonds4

About 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide

3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide (PubChem CID 86920278) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
PubChem CID86920278
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14(3)13(15)10-6-11(16-4)8-12(7-10)17-5/h6-9H,1-5H3
InChIKeyJKGXEDJRLMNIJV-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-3,5-dimethoxy-N-methylbenzamide
CID 80665087
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
N-(3-bromopropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 80662779
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
N-(2-bromoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 80659809
lithium 3,5-dimethoxybenzoate
CID 19205782
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
CID 154880858
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3,5-dimethoxybenzoyl fluoride
CID 102051744

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide (CID 86920278) is 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide is COc1cc(OC)cc(C(=O)N(C)C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is JKGXEDJRLMNIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)14(3)13(15)10-6-11(16-4)8-12(7-10)17-5/h6-9H,1-5H3.
What are the key properties of 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide?
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 86920278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).