methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate

C15H23NO3 — CID 60889536

IUPACmethyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
SMILESCCC(NC)c1ccc(OCCCC(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(16-2)12-7-9-13(10-8-12)19-11-5-6-15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyZKFMFXDWOHUREN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds8

About methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate

methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate (PubChem CID 60889536) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
PubChem CID60889536
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
SMILESCCC(NC)c1ccc(OCCCC(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(16-2)12-7-9-13(10-8-12)19-11-5-6-15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyZKFMFXDWOHUREN-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
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

6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938
N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 60887226
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
methyl 4-[4-(4-iodophenyl)phenoxy]butanoate
CID 43378252
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate?
The IUPAC name of methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate (CID 60889536) is methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate?
The canonical SMILES for methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate is CCC(NC)c1ccc(OCCCC(=O)OC)cc1.
What is the InChIKey of methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate?
The InChIKey is ZKFMFXDWOHUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-14(16-2)12-7-9-13(10-8-12)19-11-5-6-15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3.
What are the key properties of methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate?
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate is sourced from PubChem (CID 60889536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).