N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide

C24H29N5O4 — CID 42383193

IUPACN,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)nn1
InChIInChI=1S/C24H29N5O4/c1-3-28(4-2)24(31)20-16-29(27-26-20)18-12-10-17(11-13-18)25-23(30)21-14-15-22(33-21)32-19-8-6-5-7-9-19/h5-9,14-18H,3-4,10-13H2,1-2H3,(H,25,30)
InChIKeyVVVOARCLIGFTBW-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.06
Rot. Bonds8

About N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide

N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide (PubChem CID 42383193) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
PubChem CID42383193
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)nn1
InChIInChI=1S/C24H29N5O4/c1-3-28(4-2)24(31)20-16-29(27-26-20)18-12-10-17(11-13-18)25-23(30)21-14-15-22(33-21)32-19-8-6-5-7-9-19/h5-9,14-18H,3-4,10-13H2,1-2H3,(H,25,30)
InChIKeyVVVOARCLIGFTBW-UHFFFAOYSA-N
XLogP4.06
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42368275
1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
CID 26350594
N,N-diethyl-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
CID 42192714
N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
CID 119476761
1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45237550
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42348711
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119683209
N-cyclopropyl-5-(3-fluorophenoxy)furan-2-carboxamide
CID 91938819
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide (CID 42383193) is N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is VVVOARCLIGFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-3-28(4-2)24(31)20-16-29(27-26-20)18-12-10-17(11-13-18)25-23(30)21-14-15-22(33-21)32-19-8-6-5-7-9-19/h5-9,14-18H,3-4,10-13H2,1-2H3,(H,25,30).
What are the key properties of N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide?
N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 42383193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).