N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide

C14H21ClN2O — CID 115165826

IUPACN-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-14(2,16-3)13(18)17(4)10-9-11-5-7-12(15)8-6-11/h5-8,16H,9-10H2,1-4H3
InChIKeyXFFFZGOZSBFCEA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide

N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide (PubChem CID 115165826) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
PubChem CID115165826
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-14(2,16-3)13(18)17(4)10-9-11-5-7-12(15)8-6-11/h5-8,16H,9-10H2,1-4H3
InChIKeyXFFFZGOZSBFCEA-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide 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,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
N-[2-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide (CID 115165826) is N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide?
The InChIKey is XFFFZGOZSBFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,16-3)13(18)17(4)10-9-11-5-7-12(15)8-6-11/h5-8,16H,9-10H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide is sourced from PubChem (CID 115165826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).