N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide

C21H24N4O3 — CID 26739400

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C21H24N4O3/c1-15-20(23-25(22-15)17-8-6-5-7-9-17)21(26)24(2)13-12-16-10-11-18(27-3)19(14-16)28-4/h5-11,14H,12-13H2,1-4H3
InChIKeyOMQHORDUOPIUQP-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide (PubChem CID 26739400) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
PubChem CID26739400
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C21H24N4O3/c1-15-20(23-25(22-15)17-8-6-5-7-9-17)21(26)24(2)13-12-16-10-11-18(27-3)19(14-16)28-4/h5-11,14H,12-13H2,1-4H3
InChIKeyOMQHORDUOPIUQP-UHFFFAOYSA-N
XLogP2.91
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 27883567
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 26826362
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8583939
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
CID 3902581
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 47721692
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrazole-5-carboxamide
CID 3506575
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 17052353

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide (CID 26739400) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide is COc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3)nc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide?
The InChIKey is OMQHORDUOPIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-20(23-25(22-15)17-8-6-5-7-9-17)21(26)24(2)13-12-16-10-11-18(27-3)19(14-16)28-4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 26739400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).