4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide

C24H33N3O2 — CID 54832376

IUPAC4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-5-15-27(16-6-2)24(29)19-11-13-20(14-12-19)25-17-23(28)26-22-10-8-7-9-21(22)18(3)4/h7-14,18,25H,5-6,15-17H2,1-4H3,(H,26,28)
InChIKeyHYQGIHVWJRXYLE-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.12
Rot. Bonds10

About 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide

4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832376) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832376
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-5-15-27(16-6-2)24(29)19-11-13-20(14-12-19)25-17-23(28)26-22-10-8-7-9-21(22)18(3)4/h7-14,18,25H,5-6,15-17H2,1-4H3,(H,26,28)
InChIKeyHYQGIHVWJRXYLE-UHFFFAOYSA-N
XLogP5.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
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
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24616609
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide (CID 54832376) is 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is HYQGIHVWJRXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-15-27(16-6-2)24(29)19-11-13-20(14-12-19)25-17-23(28)26-22-10-8-7-9-21(22)18(3)4/h7-14,18,25H,5-6,15-17H2,1-4H3,(H,26,28).
What are the key properties of 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide?
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).