4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C21H26N2O3 — CID 109147749

IUPAC4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-4-6-16(7-5-15)13-22-20(24)17-8-10-18(11-9-17)21(25)23-14-19-3-2-12-26-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyFZGXAVZHBOPTEW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.33
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147749) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147749
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-4-6-16(7-5-15)13-22-20(24)17-8-10-18(11-9-17)21(25)23-14-19-3-2-12-26-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyFZGXAVZHBOPTEW-UHFFFAOYSA-N
XLogP3.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide 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

1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109147749) is 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is Cc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is FZGXAVZHBOPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-4-6-16(7-5-15)13-22-20(24)17-8-10-18(11-9-17)21(25)23-14-19-3-2-12-26-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).