N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C22H27NO3 — CID 108796003

IUPACN-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C22H27NO3/c1-5-16-8-7-9-17(6-2)22(16)23-21(25)13-11-19(24)18-14-15(3)10-12-20(18)26-4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,23,25)
InChIKeyRFHFISZHPSKZQL-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.73
Rot. Bonds8

About N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 108796003) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID108796003
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C22H27NO3/c1-5-16-8-7-9-17(6-2)22(16)23-21(25)13-11-19(24)18-14-15(3)10-12-20(18)26-4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,23,25)
InChIKeyRFHFISZHPSKZQL-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18112877
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404
4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 108796089
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 108796003) is N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is CCc1cccc(CC)c1NC(=O)CCC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is RFHFISZHPSKZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-16-8-7-9-17(6-2)22(16)23-21(25)13-11-19(24)18-14-15(3)10-12-20(18)26-4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 353.46 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).