4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide

C16H22N2O4 — CID 9224439

IUPAC4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
SMILESCCNC(=O)CNC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-17-16(21)11-18-15(20)10-9-14(19)12-5-7-13(8-6-12)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMVEPHMOGCQNPSE-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.30
Rot. Bonds9

About 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide (PubChem CID 9224439) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
PubChem CID9224439
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
SMILESCCNC(=O)CNC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-17-16(21)11-18-15(20)10-9-14(19)12-5-7-13(8-6-12)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMVEPHMOGCQNPSE-UHFFFAOYSA-N
XLogP1.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
CID 94262497
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
(2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119363891

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide (CID 9224439) is 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide is CCNC(=O)CNC(=O)CCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide?
The InChIKey is MVEPHMOGCQNPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-17-16(21)11-18-15(20)10-9-14(19)12-5-7-13(8-6-12)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide has a molecular weight of 306.36 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide is sourced from PubChem (CID 9224439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).