N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide

C13H19ClN2O — CID 62847640

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyUHOAWTJSTOXOLK-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide

N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 62847640) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
PubChem CID62847640
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyUHOAWTJSTOXOLK-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 81366459
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide (CID 62847640) is N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is UHOAWTJSTOXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62847640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).