N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

C22H26N2O3 — CID 34317120

IUPACN,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-24(5-2)22(27)18-10-12-19(13-11-18)23-21(26)15-14-20(25)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyHCKDILYLWRVWRS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.08
Rot. Bonds8

About N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 34317120) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID34317120
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-24(5-2)22(27)18-10-12-19(13-11-18)23-21(26)15-14-20(25)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyHCKDILYLWRVWRS-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542973
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (CID 34317120) is N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is HCKDILYLWRVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-24(5-2)22(27)18-10-12-19(13-11-18)23-21(26)15-14-20(25)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 34317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).