N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

C21H24N4O5 — CID 9246371

IUPACN-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCc3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O5/c1-27-15-8-6-14(7-9-15)20-23-21(25-24-20)22-18(26)10-5-13-11-16(28-2)19(30-4)17(12-13)29-3/h6-9,11-12H,5,10H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyGJXDWBZOZLPFRR-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.08
Rot. Bonds9

About N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 9246371) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID9246371
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCc3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O5/c1-27-15-8-6-14(7-9-15)20-23-21(25-24-20)22-18(26)10-5-13-11-16(28-2)19(30-4)17(12-13)29-3/h6-9,11-12H,5,10H2,1-4H3,(H2,22,23,24,25,26)
InChIKeyGJXDWBZOZLPFRR-UHFFFAOYSA-N
XLogP3.08
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 154770900
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
N-(4-methoxyphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 155552971
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
1,2,3-trimethoxy-5-[3-oxo-3-[4-(sulfinoamino)anilino]propyl]benzene
CID 153265603
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 9246371) is N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1ccc(-c2nc(NC(=O)CCc3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is GJXDWBZOZLPFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-27-15-8-6-14(7-9-15)20-23-21(25-24-20)22-18(26)10-5-13-11-16(28-2)19(30-4)17(12-13)29-3/h6-9,11-12H,5,10H2,1-4H3,(H2,22,23,24,25,26).
What are the key properties of N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 9246371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).