2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide

C15H23ClN2O — CID 26910

IUPAC2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)C(CCN(C)C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)15(14(17)19,9-10-18(3)4)12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,19)
InChIKeyDQANHXZCJZDGBT-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide

2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide (PubChem CID 26910) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide
PubChem CID26910
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)C(CCN(C)C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)15(14(17)19,9-10-18(3)4)12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,19)
InChIKeyDQANHXZCJZDGBT-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide (CID 26910) is 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide is CC(C)C(CCN(C)C)(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The InChIKey is DQANHXZCJZDGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)15(14(17)19,9-10-18(3)4)12-5-7-13(16)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,19).
What are the key properties of 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide?
2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide has a molecular weight of 282.82 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 26910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).