ethyl 2-(4-methoxyanilino)-2-propylpentanoate

C17H27NO3 — CID 60991340

IUPACethyl 2-(4-methoxyanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C17H27NO3/c1-5-12-17(13-6-2,16(19)21-7-3)18-14-8-10-15(20-4)11-9-14/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyJCRNPIQTIOECKY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds9

About ethyl 2-(4-methoxyanilino)-2-propylpentanoate

ethyl 2-(4-methoxyanilino)-2-propylpentanoate (PubChem CID 60991340) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-2-propylpentanoate
PubChem CID60991340
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-(4-methoxyanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C17H27NO3/c1-5-12-17(13-6-2,16(19)21-7-3)18-14-8-10-15(20-4)11-9-14/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyJCRNPIQTIOECKY-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methylanilino)-2-propylpentanoate
CID 63525337
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
ethyl 2,2-difluoro-3-(4-methoxyanilino)propanoate
CID 12981865
ethyl (2S)-2-(4-methoxyanilino)-2-methylpent-4-enoate
CID 24867811
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868091
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
2-(4-methoxyanilino)-2-methylpentanenitrile
CID 60988166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-2-propylpentanoate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-2-propylpentanoate (CID 60991340) is ethyl 2-(4-methoxyanilino)-2-propylpentanoate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-2-propylpentanoate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-2-propylpentanoate is CCCC(CCC)(Nc1ccc(OC)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-2-propylpentanoate?
The InChIKey is JCRNPIQTIOECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-12-17(13-6-2,16(19)21-7-3)18-14-8-10-15(20-4)11-9-14/h8-11,18H,5-7,12-13H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxyanilino)-2-propylpentanoate?
ethyl 2-(4-methoxyanilino)-2-propylpentanoate has a molecular weight of 293.41 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-2-propylpentanoate is sourced from PubChem (CID 60991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).