3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C18H18N4O2 — CID 37120763

IUPAC3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-24-17-4-2-3-14(11-17)5-10-18(23)21-15-6-8-16(9-7-15)22-13-19-12-20-22/h2-4,6-9,11-13H,5,10H2,1H3,(H,21,23)
InChIKeyWIDMBQCTMZFSDQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.85
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 37120763) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID37120763
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-24-17-4-2-3-14(11-17)5-10-18(23)21-15-6-8-16(9-7-15)22-13-19-12-20-22/h2-4,6-9,11-13H,5,10H2,1H3,(H,21,23)
InChIKeyWIDMBQCTMZFSDQ-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
N-[(3-methoxyphenyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995676
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110732832
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
3-(3-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637305
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 37120763) is 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is COc1cccc(CCC(=O)Nc2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is WIDMBQCTMZFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-4-2-3-14(11-17)5-10-18(23)21-15-6-8-16(9-7-15)22-13-19-12-20-22/h2-4,6-9,11-13H,5,10H2,1H3,(H,21,23).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 37120763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).