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

C19H20N4O2 — CID 31959825

IUPAC3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-25-18-4-2-3-15(11-18)7-10-19(24)22-17-8-5-16(6-9-17)12-23-14-20-13-21-23/h2-6,8-9,11,13-14H,7,10,12H2,1H3,(H,22,24)
InChIKeyHRERDHLPOIEYDS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.91
Rot. Bonds7

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

3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 31959825) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID31959825
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-25-18-4-2-3-15(11-18)7-10-19(24)22-17-8-5-16(6-9-17)12-23-14-20-13-21-23/h2-6,8-9,11,13-14H,7,10,12H2,1H3,(H,22,24)
InChIKeyHRERDHLPOIEYDS-UHFFFAOYSA-N
XLogP2.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 37120763
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 31959825) is 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is COc1cccc(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is HRERDHLPOIEYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-18-4-2-3-15(11-18)7-10-19(24)22-17-8-5-16(6-9-17)12-23-14-20-13-21-23/h2-6,8-9,11,13-14H,7,10,12H2,1H3,(H,22,24).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.91, 7 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-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 31959825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).