2-(decylcarbamoyl)cyclohexane-1-carboxylic acid

C18H33NO3 — CID 5139462

IUPAC2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18(21)22/h15-16H,2-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyRYCKCTNJUMURIL-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.13
Rot. Bonds11

About 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid

2-(decylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 5139462) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID5139462
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18(21)22/h15-16H,2-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyRYCKCTNJUMURIL-UHFFFAOYSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-dodecoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 154136601
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7001791
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525

Frequently Asked Questions

What is the IUPAC name of 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid (CID 5139462) is 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid is CCCCCCCCCCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is RYCKCTNJUMURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18(21)22/h15-16H,2-14H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 311.47 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5139462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).