ethyl 2-(4-methoxy-3-methylanilino)pentanoate

C15H23NO3 — CID 79040257

IUPACethyl 2-(4-methoxy-3-methylanilino)pentanoate
SMILESCCCC(Nc1ccc(OC)c(C)c1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-5-7-13(15(17)19-6-2)16-12-8-9-14(18-4)11(3)10-12/h8-10,13,16H,5-7H2,1-4H3
InChIKeyDMOOHHVKWRBKRE-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds7

About ethyl 2-(4-methoxy-3-methylanilino)pentanoate

ethyl 2-(4-methoxy-3-methylanilino)pentanoate (PubChem CID 79040257) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-3-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-3-methylanilino)pentanoate
PubChem CID79040257
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(4-methoxy-3-methylanilino)pentanoate
SMILESCCCC(Nc1ccc(OC)c(C)c1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-5-7-13(15(17)19-6-2)16-12-8-9-14(18-4)11(3)10-12/h8-10,13,16H,5-7H2,1-4H3
InChIKeyDMOOHHVKWRBKRE-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
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-(3,4-dichloroanilino)pentanoate
CID 83037604
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
ethyl 2-(4-methoxy-2-methylanilino)pentanoate
CID 78964712
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
ethyl 2-(3-bromo-5-methoxyanilino)pentanoate
CID 83041235
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
ethyl 2-(3-ethynylanilino)pentanoate
CID 79040775
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
methyl 2-anilinopentanoate
CID 60992581
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-3-methylanilino)pentanoate?
The IUPAC name of ethyl 2-(4-methoxy-3-methylanilino)pentanoate (CID 79040257) is ethyl 2-(4-methoxy-3-methylanilino)pentanoate.
What is the SMILES notation for ethyl 2-(4-methoxy-3-methylanilino)pentanoate?
The canonical SMILES for ethyl 2-(4-methoxy-3-methylanilino)pentanoate is CCCC(Nc1ccc(OC)c(C)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methoxy-3-methylanilino)pentanoate?
The InChIKey is DMOOHHVKWRBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-13(15(17)19-6-2)16-12-8-9-14(18-4)11(3)10-12/h8-10,13,16H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxy-3-methylanilino)pentanoate?
ethyl 2-(4-methoxy-3-methylanilino)pentanoate has a molecular weight of 265.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-3-methylanilino)pentanoate is sourced from PubChem (CID 79040257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).