3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide

C13H15NO3 — CID 30600070

IUPAC3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-5-6-14-13(15)10-7-11(16-3)9(2)12(8-10)17-4/h1,7-8H,6H2,2-4H3,(H,14,15)
InChIKeyFMTACLILKYANHD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds4

About 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide

3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide (PubChem CID 30600070) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
PubChem CID30600070
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C13H15NO3/c1-5-6-14-13(15)10-7-11(16-3)9(2)12(8-10)17-4/h1,7-8H,6H2,2-4H3,(H,14,15)
InChIKeyFMTACLILKYANHD-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 107847342
2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide (CID 30600070) is 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide?
The InChIKey is FMTACLILKYANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-5-6-14-13(15)10-7-11(16-3)9(2)12(8-10)17-4/h1,7-8H,6H2,2-4H3,(H,14,15).
What are the key properties of 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide?
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 30600070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).