2-(2-ethoxyanilino)butanamide

C12H18N2O2 — CID 62900399

IUPAC2-(2-ethoxyanilino)butanamide
SMILESCCOc1ccccc1NC(CC)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-3-9(12(13)15)14-10-7-5-6-8-11(10)16-4-2/h5-9,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyYLOJKFMGGLLXOH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds6

About 2-(2-ethoxyanilino)butanamide

2-(2-ethoxyanilino)butanamide (PubChem CID 62900399) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)butanamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)butanamide
PubChem CID62900399
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-ethoxyanilino)butanamide
SMILESCCOc1ccccc1NC(CC)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-3-9(12(13)15)14-10-7-5-6-8-11(10)16-4-2/h5-9,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyYLOJKFMGGLLXOH-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)butanamide
CID 60995502
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-(2,3-difluoroanilino)butanamide
CID 62900030
3-(2-ethoxyanilino)propanamide
CID 43131857
4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 112511009
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)butanamide?
The IUPAC name of 2-(2-ethoxyanilino)butanamide (CID 62900399) is 2-(2-ethoxyanilino)butanamide.
What is the SMILES notation for 2-(2-ethoxyanilino)butanamide?
The canonical SMILES for 2-(2-ethoxyanilino)butanamide is CCOc1ccccc1NC(CC)C(N)=O.
What is the InChIKey of 2-(2-ethoxyanilino)butanamide?
The InChIKey is YLOJKFMGGLLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9(12(13)15)14-10-7-5-6-8-11(10)16-4-2/h5-9,14H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-ethoxyanilino)butanamide?
2-(2-ethoxyanilino)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)butanamide is sourced from PubChem (CID 62900399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).