(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide

C13H19ClN2O — CID 79012263

IUPAC(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3/t12-/m1/s1
InChIKeyZKFBLLXOPUGHAJ-GFCCVEGCSA-N
MW254.76 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide

(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 79012263) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID79012263
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3/t12-/m1/s1
InChIKeyZKFBLLXOPUGHAJ-GFCCVEGCSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
CID 116548985
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
2-(3-aminobutylsulfanyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 66232590
N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61417366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide (CID 79012263) is (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is ZKFBLLXOPUGHAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide?
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 79012263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).