5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide

C18H29N5O — CID 133269292

IUPAC5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyXFODBLISIARVIH-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.66
Rot. Bonds5

About 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide

5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide (PubChem CID 133269292) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
PubChem CID133269292
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyXFODBLISIARVIH-UHFFFAOYSA-N
XLogP1.66
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
N'-(2-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 4297692
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280
N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide (CID 133269292) is 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide is CCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The InChIKey is XFODBLISIARVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24).
What are the key properties of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide is sourced from PubChem (CID 133269292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).