2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide

C18H28N4O2 — CID 119448601

IUPAC2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)17(24)21-15-7-5-4-6-14(15)16(23)20-10-13-22-11-8-19-9-12-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRIBHCKJXYIEFMJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.31
Rot. Bonds5

About 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide

2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119448601) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119448601
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)17(24)21-15-7-5-4-6-14(15)16(23)20-10-13-22-11-8-19-9-12-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRIBHCKJXYIEFMJ-UHFFFAOYSA-N
XLogP1.31
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide 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

2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide (CID 119448601) is 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide is CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is RIBHCKJXYIEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)17(24)21-15-7-5-4-6-14(15)16(23)20-10-13-22-11-8-19-9-12-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119448601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).