ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate

C16H25NO2 — CID 82351699

IUPACethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
SMILESCCCNC(CC(=O)OCC)Cc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-17-15(12-16(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyFWHWDVZURRDHPF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.86
Rot. Bonds8

About ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate

ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate (PubChem CID 82351699) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
PubChem CID82351699
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
SMILESCCCNC(CC(=O)OCC)Cc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-17-15(12-16(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyFWHWDVZURRDHPF-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate 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

ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
ethyl 3-(butylamino)-4-(4-fluoro-3-methylphenyl)butanoate
CID 82351859
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
ethyl 3-(4-methylanilino)hexanoate
CID 155464444
ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
CID 82351588
ethyl 4-(2,5-dimethylphenyl)-3-(3-hydroxypropylamino)butanoate
CID 82351927
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
methyl 4-(4-chlorophenyl)-3-(pentylamino)butanoate
CID 82351293

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate?
The IUPAC name of ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate (CID 82351699) is ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate is CCCNC(CC(=O)OCC)Cc1ccc(C)cc1.
What is the InChIKey of ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate?
The InChIKey is FWHWDVZURRDHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-17-15(12-16(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate?
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate has a molecular weight of 263.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate is sourced from PubChem (CID 82351699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).