2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C20H21NO4 — CID 120976878

IUPAC2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(Oc2ccccc2CNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C20H21NO4/c1-13-6-8-15(9-7-13)25-18-5-3-2-4-14(18)12-21-19(22)16-10-11-17(16)20(23)24/h2-9,16-17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMJKLEYJSPOJKLD-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.51
Rot. Bonds6

About 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976878) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976878
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(Oc2ccccc2CNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C20H21NO4/c1-13-6-8-15(9-7-13)25-18-5-3-2-4-14(18)12-21-19(22)16-10-11-17(16)20(23)24/h2-9,16-17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMJKLEYJSPOJKLD-UHFFFAOYSA-N
XLogP3.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
1-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122001134
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-methyl-3-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]propanamide
CID 119777795
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22684450

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976878) is 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(Oc2ccccc2CNC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MJKLEYJSPOJKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-6-8-15(9-7-13)25-18-5-3-2-4-14(18)12-21-19(22)16-10-11-17(16)20(23)24/h2-9,16-17H,10-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).