N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide

C16H29NO — CID 141160516

IUPACN-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H29NO/c1-12-4-6-13(7-5-12)15(18)17-14-8-10-16(2,3)11-9-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyBJPZIDZHULCPKM-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.90
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide

N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 141160516) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
PubChem CID141160516
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H29NO/c1-12-4-6-13(7-5-12)15(18)17-14-8-10-16(2,3)11-9-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyBJPZIDZHULCPKM-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 114550438
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738
cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
CID 128713974
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
CID 79384106
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide (CID 141160516) is N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCC(C)(C)CC2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is BJPZIDZHULCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12-4-6-13(7-5-12)15(18)17-14-8-10-16(2,3)11-9-14/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide?
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141160516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).