1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109148148

IUPAC1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-15(2)12-13-22-20(24)18-8-10-19(11-9-18)21(25)23-14-17-6-4-16(3)5-7-17/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMWDKIOHRTZMEZ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.58
Rot. Bonds7

About 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148148) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148148
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-15(2)12-13-22-20(24)18-8-10-19(11-9-18)21(25)23-14-17-6-4-16(3)5-7-17/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMWDKIOHRTZMEZ-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-(3-methylbutyl)-1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 3944044
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148148) is 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is Cc1ccc(CNC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is BMWDKIOHRTZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15(2)12-13-22-20(24)18-8-10-19(11-9-18)21(25)23-14-17-6-4-16(3)5-7-17/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).