N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C16H23ClN2O2 — CID 134003912

IUPACN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(12-6-8-13(17)9-7-12)19(5)14(20)10-18-15(21)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyKFYLGLAGJWYNSR-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.02
Rot. Bonds4

About N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 134003912) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID134003912
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(12-6-8-13(17)9-7-12)19(5)14(20)10-18-15(21)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyKFYLGLAGJWYNSR-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-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-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46580634
ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
CID 47278093
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 134003912) is N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KFYLGLAGJWYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(12-6-8-13(17)9-7-12)19(5)14(20)10-18-15(21)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,21).
What are the key properties of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 310.82 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134003912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).