2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid

C16H21NO5 — CID 120975195

IUPAC2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1OCCN(C)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C16H21NO5/c1-17(15(18)11-7-8-12(11)16(19)20)9-10-22-14-6-4-3-5-13(14)21-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyCDOPZVPQCXAWFH-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.64
Rot. Bonds7

About 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975195) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975195
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1OCCN(C)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C16H21NO5/c1-17(15(18)11-7-8-12(11)16(19)20)9-10-22-14-6-4-3-5-13(14)21-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyCDOPZVPQCXAWFH-UHFFFAOYSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 128980206
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 128978970
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155937908
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119294061
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975195) is 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is COc1ccccc1OCCN(C)C(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CDOPZVPQCXAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-17(15(18)11-7-8-12(11)16(19)20)9-10-22-14-6-4-3-5-13(14)21-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).