4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide

C23H31N3O2 — CID 54811628

IUPAC4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-13-26(14-6-2)23(28)19-8-10-20(11-9-19)25-22(27)16-24-21-12-7-17(3)15-18(21)4/h7-12,15,24H,5-6,13-14,16H2,1-4H3,(H,25,27)
InChIKeyUFWMUOCIWDCQIA-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.62
Rot. Bonds9

About 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54811628) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54811628
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-13-26(14-6-2)23(28)19-8-10-20(11-9-19)25-22(27)16-24-21-12-7-17(3)15-18(21)4/h7-12,15,24H,5-6,13-14,16H2,1-4H3,(H,25,27)
InChIKeyUFWMUOCIWDCQIA-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54817414
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54811628) is 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is UFWMUOCIWDCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-13-26(14-6-2)23(28)19-8-10-20(11-9-19)25-22(27)16-24-21-12-7-17(3)15-18(21)4/h7-12,15,24H,5-6,13-14,16H2,1-4H3,(H,25,27).
What are the key properties of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54811628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).