3-ethyl-2-(4-methoxyanilino)pentanamide

C14H22N2O2 — CID 61317708

IUPAC3-ethyl-2-(4-methoxyanilino)pentanamide
SMILESCCC(CC)C(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-4-10(5-2)13(14(15)17)16-11-6-8-12(18-3)9-7-11/h6-10,13,16H,4-5H2,1-3H3,(H2,15,17)
InChIKeyUDIXMYYUGDLQLP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds7

About 3-ethyl-2-(4-methoxyanilino)pentanamide

3-ethyl-2-(4-methoxyanilino)pentanamide (PubChem CID 61317708) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethyl-2-(4-methoxyanilino)pentanamide.

Molecular Properties

Compound Name3-ethyl-2-(4-methoxyanilino)pentanamide
PubChem CID61317708
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethyl-2-(4-methoxyanilino)pentanamide
SMILESCCC(CC)C(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-4-10(5-2)13(14(15)17)16-11-6-8-12(18-3)9-7-11/h6-10,13,16H,4-5H2,1-3H3,(H2,15,17)
InChIKeyUDIXMYYUGDLQLP-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)butanamide
CID 61005469
2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl (2S,3R,4S)-4-hydroxy-2-(4-methoxyanilino)-3-methylpentanoate
CID 11335018
methyl (2R,3S)-3-amino-2-(4-methoxyanilino)butanoate
CID 10105611
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870
ethyl (2S,3R)-2-(4-methoxyanilino)-3-nitrobutanoate
CID 134918536
ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
CID 116502005
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
ethyl (2S,3R)-3,5-dihydroxy-2-(4-methoxyanilino)-4-oxopentanoate
CID 24805796
3-ethyl-2-(4-methoxyanilino)pentanenitrile
CID 61318503

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methoxyanilino)pentanamide?
The IUPAC name of 3-ethyl-2-(4-methoxyanilino)pentanamide (CID 61317708) is 3-ethyl-2-(4-methoxyanilino)pentanamide.
What is the SMILES notation for 3-ethyl-2-(4-methoxyanilino)pentanamide?
The canonical SMILES for 3-ethyl-2-(4-methoxyanilino)pentanamide is CCC(CC)C(Nc1ccc(OC)cc1)C(N)=O.
What is the InChIKey of 3-ethyl-2-(4-methoxyanilino)pentanamide?
The InChIKey is UDIXMYYUGDLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(5-2)13(14(15)17)16-11-6-8-12(18-3)9-7-11/h6-10,13,16H,4-5H2,1-3H3,(H2,15,17).
What are the key properties of 3-ethyl-2-(4-methoxyanilino)pentanamide?
3-ethyl-2-(4-methoxyanilino)pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methoxyanilino)pentanamide is sourced from PubChem (CID 61317708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).