ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate

C17H24ClNO3 — CID 118176764

IUPACethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate
SMILESCCOC(=O)CCNCC1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO3/c1-2-21-17(20)7-8-19-11-14-9-16(10-14)22-12-13-3-5-15(18)6-4-13/h3-6,14,16,19H,2,7-12H2,1H3
InChIKeyJYFFSAVWBJNCOG-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.18
Rot. Bonds9

About ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate

ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate (PubChem CID 118176764) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate
PubChem CID118176764
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Nameethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate
SMILESCCOC(=O)CCNCC1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO3/c1-2-21-17(20)7-8-19-11-14-9-16(10-14)22-12-13-3-5-15(18)6-4-13/h3-6,14,16,19H,2,7-12H2,1H3
InChIKeyJYFFSAVWBJNCOG-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.18
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

ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
3-[(4-chlorophenyl)methoxy]cyclopentan-1-amine
CID 79458134
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
ethyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanoate
CID 81352239
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate (CID 118176764) is ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate is CCOC(=O)CCNCC1CC(OCc2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate?
The InChIKey is JYFFSAVWBJNCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-2-21-17(20)7-8-19-11-14-9-16(10-14)22-12-13-3-5-15(18)6-4-13/h3-6,14,16,19H,2,7-12H2,1H3.
What are the key properties of ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate?
ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate has a molecular weight of 325.84 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-[(4-chlorophenyl)methoxy]cyclobutyl]methylamino]propanoate is sourced from PubChem (CID 118176764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).