1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide

C18H25N5O3 — CID 42348711

IUPAC1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCC(NC(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C18H25N5O3/c1-12(2)10-19-17(24)15-11-23(22-21-15)14-7-5-13(6-8-14)20-18(25)16-4-3-9-26-16/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyAVNBXNGSIYVKDH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.17
Rot. Bonds6

About 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 42348711) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID42348711
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCC(NC(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C18H25N5O3/c1-12(2)10-19-17(24)15-11-23(22-21-15)14-7-5-13(6-8-14)20-18(25)16-4-3-9-26-16/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyAVNBXNGSIYVKDH-UHFFFAOYSA-N
XLogP2.17
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
CID 28809465
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-methylpropyl)-1-[4-[(3,4,5-trimethoxyphenyl)methylamino]cyclohexyl]triazole-4-carboxamide
CID 26347730
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558
1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42364382
N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42383193
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 42348711) is 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide is CC(C)CNC(=O)c1cn(C2CCC(NC(=O)c3ccco3)CC2)nn1.
What is the InChIKey of 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is AVNBXNGSIYVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)10-19-17(24)15-11-23(22-21-15)14-7-5-13(6-8-14)20-18(25)16-4-3-9-26-16/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 42348711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).