N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide

C20H23NO3 — CID 110411613

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-3-4-6-18(15)19(22)11-12-20(23)21-14-13-16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyQJOFEBCVZDEILL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.33
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide

N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110411613) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110411613
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-3-4-6-18(15)19(22)11-12-20(23)21-14-13-16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyQJOFEBCVZDEILL-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[2-(4-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18107464
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide (CID 110411613) is N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide is COc1ccc(CCNC(=O)CCC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is QJOFEBCVZDEILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-5-3-4-6-18(15)19(22)11-12-20(23)21-14-13-16-7-9-17(24-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110411613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).