3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

C19H19NO4 — CID 90549206

IUPAC3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1ccccc1C#CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCDTITLDNUYZPGU-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.49
Rot. Bonds5

About 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (PubChem CID 90549206) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
PubChem CID90549206
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1ccccc1C#CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H19NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCDTITLDNUYZPGU-UHFFFAOYSA-N
XLogP2.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide 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

3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
N-[3-(2-methoxyphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549139
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-dimethoxybenzamide
CID 90574822
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
4-(4-chlorophenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90549144
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[4-(2-methoxyphenoxy)but-2-ynyl]-4-methyl-3-nitrobenzamide
CID 90575574

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (CID 90549206) is 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is COc1ccccc1C#CCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The InChIKey is CDTITLDNUYZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-16-9-5-4-7-14(16)8-6-12-20-19(21)15-10-11-17(23-2)18(13-15)24-3/h4-5,7,9-11,13H,12H2,1-3H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide has a molecular weight of 325.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is sourced from PubChem (CID 90549206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).