N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide

C21H29N5O3 — CID 42368275

IUPACN,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)COc3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O3/c1-3-25(4-2)21(28)19-14-26(24-23-19)17-12-10-16(11-13-17)22-20(27)15-29-18-8-6-5-7-9-18/h5-9,14,16-17H,3-4,10-13,15H2,1-2H3,(H,22,27)
InChIKeySIPKGGUIWRMTGM-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.44
Rot. Bonds8

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

N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide (PubChem CID 42368275) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
PubChem CID42368275
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)COc3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O3/c1-3-25(4-2)21(28)19-14-26(24-23-19)17-12-10-16(11-13-17)22-20(27)15-29-18-8-6-5-7-9-18/h5-9,14,16-17H,3-4,10-13,15H2,1-2H3,(H,22,27)
InChIKeySIPKGGUIWRMTGM-UHFFFAOYSA-N
XLogP2.44
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42383193
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
2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide
CID 154877228
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
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
methyl 1-[3-[(2-phenoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]triazole-4-carboxylate
CID 73134944
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide (CID 42368275) is N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCC(NC(=O)COc3ccccc3)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is SIPKGGUIWRMTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-25(4-2)21(28)19-14-26(24-23-19)17-12-10-16(11-13-17)22-20(27)15-29-18-8-6-5-7-9-18/h5-9,14,16-17H,3-4,10-13,15H2,1-2H3,(H,22,27).
What are the key properties of N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide?
N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 42368275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).