(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride

C14H22Cl2N2O — CID 119682671

IUPAC(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
SMILESCN(Cc1ccccc1Cl)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15;/h5-8,12H,9,16H2,1-4H3;1H/t12-;/m1./s1
InChIKeyKWFBPXHWQYAOME-UTONKHPSSA-N
MW305.25 g/mol
LogP3.09
Rot. Bonds3

About (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride

(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride (PubChem CID 119682671) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
PubChem CID119682671
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
SMILESCN(Cc1ccccc1Cl)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15;/h5-8,12H,9,16H2,1-4H3;1H/t12-;/m1./s1
InChIKeyKWFBPXHWQYAOME-UTONKHPSSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride 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

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride (CID 119682671) is (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride is CN(Cc1ccccc1Cl)C(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The InChIKey is KWFBPXHWQYAOME-UTONKHPSSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15;/h5-8,12H,9,16H2,1-4H3;1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride is sourced from PubChem (CID 119682671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).