ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate

C18H25NO5 — CID 155929484

IUPACethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate
SMILESCCOC(=O)C(CC(=O)C1(O)CCCC1)Nc1ccc(OC)cc1
InChIInChI=1S/C18H25NO5/c1-3-24-17(21)15(12-16(20)18(22)10-4-5-11-18)19-13-6-8-14(23-2)9-7-13/h6-9,15,19,22H,3-5,10-12H2,1-2H3
InChIKeyQWYJFTQIMWXUGZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.30
Rot. Bonds8

About ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate

ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate (PubChem CID 155929484) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate
PubChem CID155929484
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate
SMILESCCOC(=O)C(CC(=O)C1(O)CCCC1)Nc1ccc(OC)cc1
InChIInChI=1S/C18H25NO5/c1-3-24-17(21)15(12-16(20)18(22)10-4-5-11-18)19-13-6-8-14(23-2)9-7-13/h6-9,15,19,22H,3-5,10-12H2,1-2H3
InChIKeyQWYJFTQIMWXUGZ-UHFFFAOYSA-N
XLogP2.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate 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
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
2-(4-methoxyanilino)butanamide
CID 61005469
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
ethyl (2S,3R,4S)-4-hydroxy-2-(4-methoxyanilino)-3-methylpentanoate
CID 11335018
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
CID 116502005
ethyl (2S,3R)-2-(4-methoxyanilino)-3-nitrobutanoate
CID 134918536
ethyl 2-cyano-2-[1-(4-methoxyphenyl)cyclohexyl]acetate
CID 66666907
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate (CID 155929484) is ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate is CCOC(=O)C(CC(=O)C1(O)CCCC1)Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate?
The InChIKey is QWYJFTQIMWXUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-3-24-17(21)15(12-16(20)18(22)10-4-5-11-18)19-13-6-8-14(23-2)9-7-13/h6-9,15,19,22H,3-5,10-12H2,1-2H3.
What are the key properties of ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate?
ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate has a molecular weight of 335.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-hydroxycyclopentyl)-2-(4-methoxyanilino)-4-oxobutanoate is sourced from PubChem (CID 155929484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).