3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide

C24H33N3O2 — CID 54823564

IUPAC3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-5-14-27(15-6-2)24(29)19-10-9-11-20(16-19)26-23(28)17-25-22-13-8-7-12-21(22)18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28)
InChIKeyXHRLSEXXMJVBPT-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.12
Rot. Bonds10

About 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54823564) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54823564
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-5-14-27(15-6-2)24(29)19-10-9-11-20(16-19)26-23(28)17-25-22-13-8-7-12-21(22)18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28)
InChIKeyXHRLSEXXMJVBPT-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

Analyze 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832376
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54823564) is 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2C(C)C)c1.
What is the InChIKey of 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is XHRLSEXXMJVBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-14-27(15-6-2)24(29)19-10-9-11-20(16-19)26-23(28)17-25-22-13-8-7-12-21(22)18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28).
What are the key properties of 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(2-propan-2-ylanilino)acetyl]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 3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54823564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).