ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate

C17H25NO3 — CID 64577929

IUPACethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
SMILESCCOC(=O)CCCNC1CC(c2ccccc2OC)C1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)9-6-10-18-14-11-13(12-14)15-7-4-5-8-16(15)20-2/h4-5,7-8,13-14,18H,3,6,9-12H2,1-2H3
InChIKeyKWKREOFLGBCUEV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.87
Rot. Bonds8

About ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate

ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate (PubChem CID 64577929) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
PubChem CID64577929
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
SMILESCCOC(=O)CCCNC1CC(c2ccccc2OC)C1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)9-6-10-18-14-11-13(12-14)15-7-4-5-8-16(15)20-2/h4-5,7-8,13-14,18H,3,6,9-12H2,1-2H3
InChIKeyKWKREOFLGBCUEV-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115516703
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62635026
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate?
The IUPAC name of ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate (CID 64577929) is ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate is CCOC(=O)CCCNC1CC(c2ccccc2OC)C1.
What is the InChIKey of ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate?
The InChIKey is KWKREOFLGBCUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-17(19)9-6-10-18-14-11-13(12-14)15-7-4-5-8-16(15)20-2/h4-5,7-8,13-14,18H,3,6,9-12H2,1-2H3.
What are the key properties of ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate?
ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate is sourced from PubChem (CID 64577929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).