3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride

C14H22ClNO4 — CID 2928947

IUPAC3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OCCCN(C)C)cc1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-15(2)9-4-10-18-14(16)11-19-13-7-5-12(17-3)6-8-13;/h5-8H,4,9-11H2,1-3H3;1H
InChIKeyUFFDJZVZLIETNX-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.99
Rot. Bonds8

About 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride

3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride (PubChem CID 2928947) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
PubChem CID2928947
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OCCCN(C)C)cc1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-15(2)9-4-10-18-14(16)11-19-13-7-5-12(17-3)6-8-13;/h5-8H,4,9-11H2,1-3H3;1H
InChIKeyUFFDJZVZLIETNX-UHFFFAOYSA-N
XLogP1.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride 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

3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
3-(dimethylamino)propyl 3-methoxybenzoate;hydrochloride
CID 2913040
3-[4-[3-(dimethylamino)propoxy]-2-methoxyphenyl]propyl 3-oxobutanoate
CID 174647024
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride (CID 2928947) is 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride is COc1ccc(OCC(=O)OCCCN(C)C)cc1.Cl.
What is the InChIKey of 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride?
The InChIKey is UFFDJZVZLIETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-15(2)9-4-10-18-14(16)11-19-13-7-5-12(17-3)6-8-13;/h5-8H,4,9-11H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride?
3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride is sourced from PubChem (CID 2928947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).