4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide

C21H26N2O2 — CID 8503741

IUPAC4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-23(6-2)21(25)18-9-11-19(12-10-18)22-20(24)14-17-8-7-15(3)16(4)13-17/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyHSAHHLRSIFSEML-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.97
Rot. Bonds6

About 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 8503741) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
PubChem CID8503741
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-5-23(6-2)21(25)18-9-11-19(12-10-18)22-20(24)14-17-8-7-15(3)16(4)13-17/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyHSAHHLRSIFSEML-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
CID 106912167
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542973
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide (CID 8503741) is 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is HSAHHLRSIFSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-23(6-2)21(25)18-9-11-19(12-10-18)22-20(24)14-17-8-7-15(3)16(4)13-17/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8503741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).