N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H22N4O2 — CID 51490228

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O2/c1-3-19(16-8-10-18(26-2)11-9-16)23-20(25)17-6-4-15(5-7-17)12-24-14-21-13-22-24/h4-11,13-14,19H,3,12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyHHJVHZJKKUWWDM-LJQANCHMSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 51490228) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID51490228
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O2/c1-3-19(16-8-10-18(26-2)11-9-16)23-20(25)17-6-4-15(5-7-17)12-24-14-21-13-22-24/h4-11,13-14,19H,3,12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyHHJVHZJKKUWWDM-LJQANCHMSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532036
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 51490228) is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HHJVHZJKKUWWDM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-19(16-8-10-18(26-2)11-9-16)23-20(25)17-6-4-15(5-7-17)12-24-14-21-13-22-24/h4-11,13-14,19H,3,12H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 51490228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).