3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate

C15H23NO4 — CID 2248948

IUPAC3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
SMILESCCN(CC)CCCOC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-16(5-2)9-6-10-20-15(18)12-7-8-13(17)14(11-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyGUTHIZFSFGNTKR-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.29
Rot. Bonds8

About 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate

3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate (PubChem CID 2248948) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
PubChem CID2248948
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
SMILESCCN(CC)CCCOC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-16(5-2)9-6-10-20-15(18)12-7-8-13(17)14(11-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyGUTHIZFSFGNTKR-UHFFFAOYSA-N
XLogP2.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-3-methoxybenzoyl)oxypropyl 4-hydroxy-3-methoxybenzoate
CID 45376005
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
4-(4-hydroxy-3-sulfanyloxybenzoyl)oxybutyl 4-hydroxy-3-methoxybenzoate
CID 88883544
4-(diethylamino)butyl 4-ethoxycarbonyloxy-3-methoxybenzoate
CID 15788451
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
CID 134285063
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
bis[3-[ethyl(tridecyl)amino]propyl] benzene-1,4-dicarboxylate
CID 139953595

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate?
The IUPAC name of 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate (CID 2248948) is 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate.
What is the SMILES notation for 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate?
The canonical SMILES for 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate is CCN(CC)CCCOC(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate?
The InChIKey is GUTHIZFSFGNTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-16(5-2)9-6-10-20-15(18)12-7-8-13(17)14(11-12)19-3/h7-8,11,17H,4-6,9-10H2,1-3H3.
What are the key properties of 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate?
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate has a molecular weight of 281.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 2248948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).