N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide

C17H24N4O3 — CID 23608156

IUPACN-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nn(-c2ccc(CC)cc2)nc1CO
InChIInChI=1S/C17H24N4O3/c1-3-13-6-8-14(9-7-13)21-19-15(12-22)16(20-21)17(23)18-10-5-11-24-4-2/h6-9,22H,3-5,10-12H2,1-2H3,(H,18,23)
InChIKeyDZJRYWXAPZJWBM-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.48
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide

N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide (PubChem CID 23608156) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
PubChem CID23608156
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nn(-c2ccc(CC)cc2)nc1CO
InChIInChI=1S/C17H24N4O3/c1-3-13-6-8-14(9-7-13)21-19-15(12-22)16(20-21)17(23)18-10-5-11-24-4-2/h6-9,22H,3-5,10-12H2,1-2H3,(H,18,23)
InChIKeyDZJRYWXAPZJWBM-UHFFFAOYSA-N
XLogP1.48
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
CID 23608131
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 23608045
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
CID 23608154
2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608027
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608090
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18138197
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide (CID 23608156) is N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide is CCOCCCNC(=O)c1nn(-c2ccc(CC)cc2)nc1CO.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The InChIKey is DZJRYWXAPZJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-13-6-8-14(9-7-13)21-19-15(12-22)16(20-21)17(23)18-10-5-11-24-4-2/h6-9,22H,3-5,10-12H2,1-2H3,(H,18,23).
What are the key properties of N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 23608156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).