4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide

C22H28N2O3 — CID 109147782

IUPAC4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-14-4-8-17-6-2-1-3-7-17)18-10-12-19(13-11-18)22(26)24-16-20-9-5-15-27-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,23,25)(H,24,26)
InChIKeyPBYXYERWPWEUOP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.45
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide

4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147782) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147782
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-14-4-8-17-6-2-1-3-7-17)18-10-12-19(13-11-18)22(26)24-16-20-9-5-15-27-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,23,25)(H,24,26)
InChIKeyPBYXYERWPWEUOP-UHFFFAOYSA-N
XLogP3.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)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-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
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-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (CID 109147782) is 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is O=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is PBYXYERWPWEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21(23-14-4-8-17-6-2-1-3-7-17)18-10-12-19(13-11-18)22(26)24-16-20-9-5-15-27-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.45, 8 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-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).