2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C21H23NO5 — CID 120976039

IUPAC2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCc1ccc(Oc2ccc(NC(=O)C3CCC3C(=O)O)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-13-12-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)22-20(23)18-10-11-19(18)21(24)25/h2-9,18-19H,10-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyOCRLVGNXUDRYGC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.72
Rot. Bonds8

About 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976039) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976039
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCc1ccc(Oc2ccc(NC(=O)C3CCC3C(=O)O)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-13-12-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)22-20(23)18-10-11-19(18)21(24)25/h2-9,18-19H,10-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyOCRLVGNXUDRYGC-UHFFFAOYSA-N
XLogP3.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
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
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
2-[[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 177026753
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]propanamide
CID 119321262
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976294
cis-(1R,2S)-2-[[4-[4-(cyclohexanecarbonylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid;formic acid
CID 177026802
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56970029

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976039) is 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is COCCc1ccc(Oc2ccc(NC(=O)C3CCC3C(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is OCRLVGNXUDRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-13-12-14-2-6-16(7-3-14)27-17-8-4-15(5-9-17)22-20(23)18-10-11-19(18)21(24)25/h2-9,18-19H,10-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).