2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide

C19H20N4O3 — CID 50978491

IUPAC2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2nc(C)nn2-c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13-20-19(23(22-13)16-7-9-17(26-3)10-8-16)14-5-4-6-15(11-14)21-18(24)12-25-2/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyKVERFRLVJWOICO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.84
Rot. Bonds6

About 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide

2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide (PubChem CID 50978491) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
PubChem CID50978491
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2nc(C)nn2-c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13-20-19(23(22-13)16-7-9-17(26-3)10-8-16)14-5-4-6-15(11-14)21-18(24)12-25-2/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyKVERFRLVJWOICO-UHFFFAOYSA-N
XLogP2.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
ethyl 1-(4-methoxyphenyl)-5-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 46094367
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-[4-[3-ethoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 42809966
ethyl 1-(4-methoxyphenyl)-5-[3-(3-methylbutanoylamino)phenyl]pyrazole-3-carboxylate
CID 46094256
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
CID 95616058
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-[4-[5-(3-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide
CID 42809971

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide (CID 50978491) is 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide is COCC(=O)Nc1cccc(-c2nc(C)nn2-c2ccc(OC)cc2)c1.
What is the InChIKey of 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The InChIKey is KVERFRLVJWOICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-20-19(23(22-13)16-7-9-17(26-3)10-8-16)14-5-4-6-15(11-14)21-18(24)12-25-2/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 50978491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).