3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride

C13H20Cl2N2O — CID 119685342

IUPAC3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)CN)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(10-5-4-6-11(14)7-10)16-12(17)13(2,3)8-15;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyUKRRVERNSXFUAY-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.92
Rot. Bonds4

About 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119685342) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119685342
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)CN)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(10-5-4-6-11(14)7-10)16-12(17)13(2,3)8-15;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyUKRRVERNSXFUAY-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.92
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
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81489203
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride (CID 119685342) is 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride is CC(NC(=O)C(C)(C)CN)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is UKRRVERNSXFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(10-5-4-6-11(14)7-10)16-12(17)13(2,3)8-15;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).