2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C24H37NO4 — CID 56970029

IUPAC2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCCOc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-11-18-29-20-16-14-19(15-17-20)25-23(26)21-12-9-10-13-22(21)24(27)28/h14-17,21-22H,2-13,18H2,1H3,(H,25,26)(H,27,28)
InChIKeyGBSBHHWBORKGSB-UHFFFAOYSA-N
MW403.56 g/mol
LogP6.04
Rot. Bonds13

About 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 56970029) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID56970029
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC Name2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCCCCCCCOc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-11-18-29-20-16-14-19(15-17-20)25-23(26)21-12-9-10-13-22(21)24(27)28/h14-17,21-22H,2-13,18H2,1H3,(H,25,26)(H,27,28)
InChIKeyGBSBHHWBORKGSB-UHFFFAOYSA-N
XLogP6.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.56
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
2-cyclopentyl-N-(4-hexoxyphenyl)acetamide
CID 54786135
trans-(1S,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 26257020
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
2-[[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 177026753
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
CID 108792203
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
N-[(4-heptoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 4951619

Frequently Asked Questions

What is the IUPAC name of 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 56970029) is 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CCCCCCCCCCOc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GBSBHHWBORKGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-11-18-29-20-16-14-19(15-17-20)25-23(26)21-12-9-10-13-22(21)24(27)28/h14-17,21-22H,2-13,18H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 403.56 g/mol, XLogP of 6.04, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 56970029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).