methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate

C17H27NO3 — CID 60881948

IUPACmethyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
SMILESCCNC(C)CCc1ccc(OCCCC(=O)OC)cc1
InChIInChI=1S/C17H27NO3/c1-4-18-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(19)20-3/h9-12,14,18H,4-8,13H2,1-3H3
InChIKeyOHYBLPSNTUYSDO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.95
Rot. Bonds10

About methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate

methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate (PubChem CID 60881948) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
PubChem CID60881948
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
SMILESCCNC(C)CCc1ccc(OCCCC(=O)OC)cc1
InChIInChI=1S/C17H27NO3/c1-4-18-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(19)20-3/h9-12,14,18H,4-8,13H2,1-3H3
InChIKeyOHYBLPSNTUYSDO-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.95
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-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
CID 63892865
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate?
The IUPAC name of methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate (CID 60881948) is methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate?
The canonical SMILES for methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate is CCNC(C)CCc1ccc(OCCCC(=O)OC)cc1.
What is the InChIKey of methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate?
The InChIKey is OHYBLPSNTUYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-18-14(2)7-8-15-9-11-16(12-10-15)21-13-5-6-17(19)20-3/h9-12,14,18H,4-8,13H2,1-3H3.
What are the key properties of methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate?
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate has a molecular weight of 293.41 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate is sourced from PubChem (CID 60881948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).