4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

C17H29NO3 — CID 114511568

IUPAC4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)C2CCCCC2C)C1
InChIInChI=1S/C17H29NO3/c1-4-12-9-13(14(10-12)17(20)21)16(19)18(3)15-8-6-5-7-11(15)2/h11-15H,4-10H2,1-3H3,(H,20,21)
InChIKeyOYBSKPTXSCQGPH-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.16
Rot. Bonds4

About 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511568) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511568
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)C2CCCCC2C)C1
InChIInChI=1S/C17H29NO3/c1-4-12-9-13(14(10-12)17(20)21)16(19)18(3)15-8-6-5-7-11(15)2/h11-15H,4-10H2,1-3H3,(H,20,21)
InChIKeyOYBSKPTXSCQGPH-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
2-[cyclobutyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115730407
2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835983
2-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 64822611
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
3-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 66008967
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511568) is 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)C2CCCCC2C)C1.
What is the InChIKey of 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is OYBSKPTXSCQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-12-9-13(14(10-12)17(20)21)16(19)18(3)15-8-6-5-7-11(15)2/h11-15H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).