N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C22H27NO3 — CID 108796001

IUPACN-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C22H27NO3/c1-5-17-7-9-18(10-8-17)16(3)23-22(25)13-11-20(24)19-14-15(2)6-12-21(19)26-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,23,25)
InChIKeyUPERLQOWCVUITB-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.41
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 108796001) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID108796001
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C22H27NO3/c1-5-17-7-9-18(10-8-17)16(3)23-22(25)13-11-20(24)19-14-15(2)6-12-21(19)26-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,23,25)
InChIKeyUPERLQOWCVUITB-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 108795992
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092
3-(4-hydroxyphenyl)-2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 108796062
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
CID 46432968
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890501
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556372

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 108796001) is N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is CCc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is UPERLQOWCVUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-17-7-9-18(10-8-17)16(3)23-22(25)13-11-20(24)19-14-15(2)6-12-21(19)26-4/h6-10,12,14,16H,5,11,13H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 353.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).