4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109148008

IUPAC4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H32N2O2/c1-3-4-7-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,3-4,7,10-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJHKIKLRVVYCMJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.72
Rot. Bonds8

About 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide

4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide (PubChem CID 109148008) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
PubChem CID109148008
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H32N2O2/c1-3-4-7-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,3-4,7,10-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJHKIKLRVVYCMJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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

4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide (CID 109148008) is 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The InChIKey is QJHKIKLRVVYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-4-7-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,3-4,7,10-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).