5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide

C21H25N5O2 — CID 50928971

IUPAC5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25N5O2/c1-3-13-28-18-11-7-16(8-12-18)14-22-21(27)19-20(25-26-24-19)23-17-9-5-15(4-2)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyUERBYMAFCIASFW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.83
Rot. Bonds9

About 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide

5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 50928971) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
PubChem CID50928971
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25N5O2/c1-3-13-28-18-11-7-16(8-12-18)14-22-21(27)19-20(25-26-24-19)23-17-9-5-15(4-2)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyUERBYMAFCIASFW-UHFFFAOYSA-N
XLogP3.83
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929084
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
CID 50928973
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
CID 166421133
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
CID 86967623
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide (CID 50928971) is 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide is CCCOc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(CC)cc2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is UERBYMAFCIASFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-13-28-18-11-7-16(8-12-18)14-22-21(27)19-20(25-26-24-19)23-17-9-5-15(4-2)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide?
5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 50928971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).