3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide

C20H21NO3 — CID 90549032

IUPAC3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
SMILESCOc1ccc(C#CCNC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO3/c1-23-18-10-5-16(6-11-18)4-3-15-21-20(22)14-9-17-7-12-19(24-2)13-8-17/h5-8,10-13H,9,14-15H2,1-2H3,(H,21,22)
InChIKeyGNUZTPFDULRIQG-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide

3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide (PubChem CID 90549032) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
PubChem CID90549032
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
SMILESCOc1ccc(C#CCNC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO3/c1-23-18-10-5-16(6-11-18)4-3-15-21-20(22)14-9-17-7-12-19(24-2)13-8-17/h5-8,10-13H,9,14-15H2,1-2H3,(H,21,22)
InChIKeyGNUZTPFDULRIQG-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
CID 90547946
N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
CID 90548876
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90548870
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
1-[3-(4-acetylphenyl)prop-2-ynyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90553295
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
ethyl N-[3-(4-methoxyphenyl)prop-2-ynyl]carbamate
CID 90549022
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
1-[(4-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)prop-2-ynyl]urea
CID 90553066

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide (CID 90549032) is 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide is COc1ccc(C#CCNC(=O)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide?
The InChIKey is GNUZTPFDULRIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-18-10-5-16(6-11-18)4-3-15-21-20(22)14-9-17-7-12-19(24-2)13-8-17/h5-8,10-13H,9,14-15H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide has a molecular weight of 323.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide is sourced from PubChem (CID 90549032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).