N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide

C18H27NO — CID 110474016

IUPACN-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H27NO/c1-17(2,3)14-19-16(20)18(12-8-5-9-13-18)15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20)
InChIKeyATTSHNXUMKZSJR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.05
Rot. Bonds3

About N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide

N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide (PubChem CID 110474016) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
PubChem CID110474016
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H27NO/c1-17(2,3)14-19-16(20)18(12-8-5-9-13-18)15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20)
InChIKeyATTSHNXUMKZSJR-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 778764
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CID 111520147
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
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CID 64865922
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide (CID 110474016) is N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide is CC(C)(C)CNC(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide?
The InChIKey is ATTSHNXUMKZSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)14-19-16(20)18(12-8-5-9-13-18)15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20).
What are the key properties of N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide?
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 110474016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).