N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide

C18H28ClN3O — CID 112504694

IUPACN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCN1CCN(C(CNC(=O)C(C)(C)C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O/c1-18(2,3)17(23)20-13-16(14-7-5-6-8-15(14)19)22-11-9-21(4)10-12-22/h5-8,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyKIXBUGNZEODXHT-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 112504694) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID112504694
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC NameN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCN1CCN(C(CNC(=O)C(C)(C)C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O/c1-18(2,3)17(23)20-13-16(14-7-5-6-8-15(14)19)22-11-9-21(4)10-12-22/h5-8,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyKIXBUGNZEODXHT-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide 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-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 7384743
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
tert-butyl 4-[2-acetamido-1-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 58786608
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 43956751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide (CID 112504694) is N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide is CN1CCN(C(CNC(=O)C(C)(C)C)c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is KIXBUGNZEODXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-18(2,3)17(23)20-13-16(14-7-5-6-8-15(14)19)22-11-9-21(4)10-12-22/h5-8,16H,9-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 337.90 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112504694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).