4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

C17H30N4O2 — CID 167819502

IUPAC4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)n1cnnc1CCNC(=O)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C17H30N4O2/c1-12(2)21-11-19-20-15(21)9-10-18-16(22)13-5-7-14(8-6-13)17(3,4)23/h11-14,23H,5-10H2,1-4H3,(H,18,22)
InChIKeyWAPMXFRRGSLXFD-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.10
Rot. Bonds6

About 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 167819502) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID167819502
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)n1cnnc1CCNC(=O)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C17H30N4O2/c1-12(2)21-11-19-20-15(21)9-10-18-16(22)13-5-7-14(8-6-13)17(3,4)23/h11-14,23H,5-10H2,1-4H3,(H,18,22)
InChIKeyWAPMXFRRGSLXFD-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 121496252
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
1-(2,6-dichlorophenyl)-5-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 86935702
(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 154817209
2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115876465
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
(1S,3R,4R)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(propan-2-ylamino)-4-propoxycyclohexane-1-carboxamide
CID 157015880
N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91923972
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide;dihydrochloride
CID 119878824
1-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 97446058
1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 86935723

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 167819502) is 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(C)n1cnnc1CCNC(=O)C1CCC(C(C)(C)O)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is WAPMXFRRGSLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)21-11-19-20-15(21)9-10-18-16(22)13-5-7-14(8-6-13)17(3,4)23/h11-14,23H,5-10H2,1-4H3,(H,18,22).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167819502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).