4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide

C22H34N2O2 — CID 109149897

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C22H34N2O2/c1-4-6-7-15-23-21(25)18-11-13-19(14-12-18)22(26)24(5-2)20-10-8-9-17(3)16-20/h8-10,16,18-19H,4-7,11-15H2,1-3H3,(H,23,25)
InChIKeyCUTMHZKBFYESAW-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.46
Rot. Bonds8

About 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide

4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide (PubChem CID 109149897) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
PubChem CID109149897
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C22H34N2O2/c1-4-6-7-15-23-21(25)18-11-13-19(14-12-18)22(26)24(5-2)20-10-8-9-17(3)16-20/h8-10,16,18-19H,4-7,11-15H2,1-3H3,(H,23,25)
InChIKeyCUTMHZKBFYESAW-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide (CID 109149897) is 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The InChIKey is CUTMHZKBFYESAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-4-6-7-15-23-21(25)18-11-13-19(14-12-18)22(26)24(5-2)20-10-8-9-17(3)16-20/h8-10,16,18-19H,4-7,11-15H2,1-3H3,(H,23,25).
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).