2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide

C22H25N5O3 — CID 34870555

IUPAC2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)c1
InChIInChI=1S/C22H25N5O3/c1-5-23-20(28)13-30-18-8-6-7-17(12-18)24-22(29)21-16(4)25-27(26-21)19-10-9-14(2)11-15(19)3/h6-12H,5,13H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyLZFWXDPAHAIFPL-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.96
Rot. Bonds7

About 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide

2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide (PubChem CID 34870555) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide
PubChem CID34870555
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)c1
InChIInChI=1S/C22H25N5O3/c1-5-23-20(28)13-30-18-8-6-7-17(12-18)24-22(29)21-16(4)25-27(26-21)19-10-9-14(2)11-15(19)3/h6-12H,5,13H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyLZFWXDPAHAIFPL-UHFFFAOYSA-N
XLogP2.96
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
2-(2,4-dimethylphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 55835887
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 38313943
(2-anilino-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981429
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide (CID 34870555) is 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The InChIKey is LZFWXDPAHAIFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-5-23-20(28)13-30-18-8-6-7-17(12-18)24-22(29)21-16(4)25-27(26-21)19-10-9-14(2)11-15(19)3/h6-12H,5,13H2,1-4H3,(H,23,28)(H,24,29).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide?
2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 34870555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).