1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109148218

IUPAC1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-3-4-8-15-22-20(24)18-11-13-19(14-12-18)21(25)23-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJLQXFJSEAOEEB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.98
Rot. Bonds8

About 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide

1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148218) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148218
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-3-4-8-15-22-20(24)18-11-13-19(14-12-18)21(25)23-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJLQXFJSEAOEEB-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
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,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148209
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148218) is 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is QJLQXFJSEAOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-4-8-15-22-20(24)18-11-13-19(14-12-18)21(25)23-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).