(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide

C15H22Cl2N2O — CID 103929187

IUPAC(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-9(11-7-6-10(16)8-12(11)17)19(5)14(20)13(18)15(2,3)4/h6-9,13H,18H2,1-5H3/t9?,13-/m0/s1
InChIKeyZZGZDTFEDVSGOE-NCWAPJAISA-N
MW317.26 g/mol
LogP3.89
Rot. Bonds3

About (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide

(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 103929187) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
PubChem CID103929187
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-9(11-7-6-10(16)8-12(11)17)19(5)14(20)13(18)15(2,3)4/h6-9,13H,18H2,1-5H3/t9?,13-/m0/s1
InChIKeyZZGZDTFEDVSGOE-NCWAPJAISA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide 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

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide (CID 103929187) is (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is ZZGZDTFEDVSGOE-NCWAPJAISA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-9(11-7-6-10(16)8-12(11)17)19(5)14(20)13(18)15(2,3)4/h6-9,13H,18H2,1-5H3/t9?,13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide has a molecular weight of 317.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).