1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide

C22H26N4O3 — CID 51950141

IUPAC1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-10-8-9-17(13-18)15(3)23-22(27)21-16(4)26(25-24-21)19-11-6-7-12-20(19)28-5/h6-15H,1-5H3,(H,23,27)/t15-/m0/s1
InChIKeyVIPGIVDALKVJCJ-HNNXBMFYSA-N
MW394.48 g/mol
LogP3.86
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide

1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide (PubChem CID 51950141) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
PubChem CID51950141
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-10-8-9-17(13-18)15(3)23-22(27)21-16(4)26(25-24-21)19-11-6-7-12-20(19)28-5/h6-15H,1-5H3,(H,23,27)/t15-/m0/s1
InChIKeyVIPGIVDALKVJCJ-HNNXBMFYSA-N
XLogP3.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 53333407
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785235
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873496
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 47036917
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123678
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55885772

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide (CID 51950141) is 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is VIPGIVDALKVJCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)29-18-10-8-9-17(13-18)15(3)23-22(27)21-16(4)26(25-24-21)19-11-6-7-12-20(19)28-5/h6-15H,1-5H3,(H,23,27)/t15-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 51950141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).