3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

C17H29NO3 — CID 4729444

IUPAC3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C)(C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C17H29NO3/c1-15(2)16(3,10-11-17(15,4)14(20)21)13(19)18-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyMFCIHZGDLMQJQW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.35
Rot. Bonds3

About 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (PubChem CID 4729444) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
PubChem CID4729444
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C)(C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C17H29NO3/c1-15(2)16(3,10-11-17(15,4)14(20)21)13(19)18-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyMFCIHZGDLMQJQW-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
CID 4577033
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
S-methyl N-cyclohexylcarbamothioate
CID 3710575
N-cycloheptyl-2-methylpiperidine-2-carboxamide
CID 113368551
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
N-cyclopentyl-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834318
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (CID 4729444) is 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C)(C(=O)NC2CCCCC2)C1(C)C.
What is the InChIKey of 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The InChIKey is MFCIHZGDLMQJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-15(2)16(3,10-11-17(15,4)14(20)21)13(19)18-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 4729444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).