(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate

C16H25NO3 — CID 106666213

IUPAC(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
SMILESCOC(C)(C)CCOC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C16H25NO3/c1-13-5-7-14(8-6-13)17-11-9-15(18)20-12-10-16(2,3)19-4/h5-8,17H,9-12H2,1-4H3
InChIKeyWJVKVDRJXBWGQH-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds8

About (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate

(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate (PubChem CID 106666213) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
PubChem CID106666213
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
SMILESCOC(C)(C)CCOC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C16H25NO3/c1-13-5-7-14(8-6-13)17-11-9-15(18)20-12-10-16(2,3)19-4/h5-8,17H,9-12H2,1-4H3
InChIKeyWJVKVDRJXBWGQH-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate 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 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
3-[(2-Methylphenyl)amino]propanoic acid
CID 2435377
Propanoic acid, 3-((4-methylphenyl)amino)-3-oxo-, ethyl ester
CID 155874
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
Diethyl 2-((p-tolylamino)methylene)malonate
CID 3851642
Ethyl 2-(3-fluoro-4-methylanilino)acetate
CID 302645
3-p-Tolylamino-propionic acid
CID 2384526
Ethyl 4-hexadecylaminohydrocinnamate
CID 20525757
Ethyl 4-[4-(hexadecylamino)phenyl]butanoate
CID 44279883
Methyl N-(4-methylphenyl)alaninate
CID 3266102
Glycine, N-(4-methylphenyl)-, ethyl ester
CID 13263396
Aniline derivative
CID 139070881

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate (CID 106666213) is (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate is COC(C)(C)CCOC(=O)CCNc1ccc(C)cc1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate?
The InChIKey is WJVKVDRJXBWGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-5-7-14(8-6-13)17-11-9-15(18)20-12-10-16(2,3)19-4/h5-8,17H,9-12H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate?
(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate has a molecular weight of 279.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate is sourced from PubChem (CID 106666213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).