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

C22H25NO5 — CID 120672214

IUPAC4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H25NO5/c1-2-27-17-11-13-18(14-12-17)28-20-6-4-3-5-19(20)23-21(24)15-7-9-16(10-8-15)22(25)26/h3-6,11-16H,2,7-10H2,1H3,(H,23,24)(H,25,26)
InChIKeySEIOBTYNAOIXAG-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.71
Rot. Bonds7

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

4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672214) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672214
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H25NO5/c1-2-27-17-11-13-18(14-12-17)28-20-6-4-3-5-19(20)23-21(24)15-7-9-16(10-8-15)22(25)26/h3-6,11-16H,2,7-10H2,1H3,(H,23,24)(H,25,26)
InChIKeySEIOBTYNAOIXAG-UHFFFAOYSA-N
XLogP4.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382
N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566586
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39909181
(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
4-[2-(4-ethoxyphenoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133553

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672214) is 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CCOc1ccc(Oc2ccccc2NC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SEIOBTYNAOIXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-2-27-17-11-13-18(14-12-17)28-20-6-4-3-5-19(20)23-21(24)15-7-9-16(10-8-15)22(25)26/h3-6,11-16H,2,7-10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 383.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).