ethyl 2-(4-methoxyanilino)hexanoate

C15H23NO3 — CID 61352956

IUPACethyl 2-(4-methoxyanilino)hexanoate
SMILESCCCCC(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-6-7-14(15(17)19-5-2)16-12-8-10-13(18-3)11-9-12/h8-11,14,16H,4-7H2,1-3H3
InChIKeyWEDMKTDYDWMZIK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds8

About ethyl 2-(4-methoxyanilino)hexanoate

ethyl 2-(4-methoxyanilino)hexanoate (PubChem CID 61352956) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)hexanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)hexanoate
PubChem CID61352956
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(4-methoxyanilino)hexanoate
SMILESCCCCC(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-6-7-14(15(17)19-5-2)16-12-8-10-13(18-3)11-9-12/h8-11,14,16H,4-7H2,1-3H3
InChIKeyWEDMKTDYDWMZIK-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze ethyl 2-(4-methoxyanilino)hexanoate 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

1-O-ethyl 4-O-methyl 2-(4-methoxyanilino)butanedioate
CID 59288138
2-(4-methoxyanilino)butanamide
CID 61005469
ethyl (2R)-2-anilinotridecanoate
CID 155931058
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
(4-methoxyphenyl) 2-methylhexanoate
CID 174280566
ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate
CID 155929484
ethyl (2S,3R,4S)-4-hydroxy-2-(4-methoxyanilino)-3-methylpentanoate
CID 11335018
methyl 2-(4-chloroanilino)octanoate
CID 63525918
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)hexanoate?
The IUPAC name of ethyl 2-(4-methoxyanilino)hexanoate (CID 61352956) is ethyl 2-(4-methoxyanilino)hexanoate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)hexanoate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)hexanoate is CCCCC(Nc1ccc(OC)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methoxyanilino)hexanoate?
The InChIKey is WEDMKTDYDWMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-7-14(15(17)19-5-2)16-12-8-10-13(18-3)11-9-12/h8-11,14,16H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyanilino)hexanoate?
ethyl 2-(4-methoxyanilino)hexanoate has a molecular weight of 265.35 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)hexanoate is sourced from PubChem (CID 61352956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).