methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate

C16H25NO3 — CID 115495159

IUPACmethyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
SMILESCCCNC(C)Cc1ccc(OCCC(=O)OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(2)12-14-5-7-15(8-6-14)20-11-9-16(18)19-3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyFQOMCEKXDTZTOK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds9

About methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate

methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate (PubChem CID 115495159) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
PubChem CID115495159
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
SMILESCCCNC(C)Cc1ccc(OCCC(=O)OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(2)12-14-5-7-15(8-6-14)20-11-9-16(18)19-3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyFQOMCEKXDTZTOK-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate (CID 115495159) is methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate is CCCNC(C)Cc1ccc(OCCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate?
The InChIKey is FQOMCEKXDTZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-10-17-13(2)12-14-5-7-15(8-6-14)20-11-9-16(18)19-3/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate?
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate is sourced from PubChem (CID 115495159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).