4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C17H23NO4 — CID 120672579

IUPAC4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-18-16(19)13-5-7-14(8-6-13)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyQQJJXUGTUGQXOM-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.59
Rot. Bonds6

About 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672579) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672579
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-18-16(19)13-5-7-14(8-6-13)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyQQJJXUGTUGQXOM-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3445741
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229909
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672579) is 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCOc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QQJJXUGTUGQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-22-15-9-3-12(4-10-15)11-18-16(19)13-5-7-14(8-6-13)17(20)21/h3-4,9-10,13-14H,2,5-8,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).