N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide

C20H23NO3 — CID 38169062

IUPACN-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C20H23NO3/c1-3-15-9-11-16(12-10-15)18(22)13-14-20(23)21-17-7-5-6-8-19(17)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyAYRUMVWFFVOZDC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.25
Rot. Bonds8

About N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide

N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 38169062) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID38169062
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C20H23NO3/c1-3-15-9-11-16(12-10-15)18(22)13-14-20(23)21-17-7-5-6-8-19(17)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyAYRUMVWFFVOZDC-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157407

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide (CID 38169062) is N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide is CCOc1ccccc1NC(=O)CCC(=O)c1ccc(CC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is AYRUMVWFFVOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-15-9-11-16(12-10-15)18(22)13-14-20(23)21-17-7-5-6-8-19(17)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 325.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 38169062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).