4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide

C21H26N4O3 — CID 54846187

IUPAC4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)21(28)16-8-12-18(13-9-16)24-19(26)14-23-17-10-6-15(7-11-17)20(27)22-3/h6-13,23H,4-5,14H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyDRGJOZDHSFINPI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.58
Rot. Bonds8

About 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide

4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54846187) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54846187
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)21(28)16-8-12-18(13-9-16)24-19(26)14-23-17-10-6-15(7-11-17)20(27)22-3/h6-13,23H,4-5,14H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyDRGJOZDHSFINPI-UHFFFAOYSA-N
XLogP2.58
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (CID 54846187) is 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is DRGJOZDHSFINPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-25(5-2)21(28)16-8-12-18(13-9-16)24-19(26)14-23-17-10-6-15(7-11-17)20(27)22-3/h6-13,23H,4-5,14H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54846187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).