methyl 4-[3-(diethylamino)propoxy]benzoate

C15H23NO3 — CID 18508138

IUPACmethyl 4-[3-(diethylamino)propoxy]benzoate
SMILESCCN(CC)CCCOc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)11-6-12-19-14-9-7-13(8-10-14)15(17)18-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMDKQDWIMBDRMFT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.58
Rot. Bonds8

About methyl 4-[3-(diethylamino)propoxy]benzoate

methyl 4-[3-(diethylamino)propoxy]benzoate (PubChem CID 18508138) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-[3-(diethylamino)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(diethylamino)propoxy]benzoate
PubChem CID18508138
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-[3-(diethylamino)propoxy]benzoate
SMILESCCN(CC)CCCOc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)11-6-12-19-14-9-7-13(8-10-14)15(17)18-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMDKQDWIMBDRMFT-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-[[4-(5-bromopentoxy)phenyl]diazenyl]benzoate
CID 139041792
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(diethylamino)propoxy]benzoate?
The IUPAC name of methyl 4-[3-(diethylamino)propoxy]benzoate (CID 18508138) is methyl 4-[3-(diethylamino)propoxy]benzoate.
What is the SMILES notation for methyl 4-[3-(diethylamino)propoxy]benzoate?
The canonical SMILES for methyl 4-[3-(diethylamino)propoxy]benzoate is CCN(CC)CCCOc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[3-(diethylamino)propoxy]benzoate?
The InChIKey is MDKQDWIMBDRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)11-6-12-19-14-9-7-13(8-10-14)15(17)18-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of methyl 4-[3-(diethylamino)propoxy]benzoate?
methyl 4-[3-(diethylamino)propoxy]benzoate has a molecular weight of 265.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(diethylamino)propoxy]benzoate is sourced from PubChem (CID 18508138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).