(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide

C14H20Cl2N2O — CID 61174614

IUPAC(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1
InChIKeyXYQXWFHJXPXWLW-NCWAPJAISA-N
MW303.23 g/mol
LogP3.33
Rot. Bonds5

About (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide

(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide (PubChem CID 61174614) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
PubChem CID61174614
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1
InChIKeyXYQXWFHJXPXWLW-NCWAPJAISA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide (CID 61174614) is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide is CCC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide?
The InChIKey is XYQXWFHJXPXWLW-NCWAPJAISA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)12(16)7-10/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide?
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide has a molecular weight of 303.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61174614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).