(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride

C16H28Cl2N4O2 — CID 119873322

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-16(2,3)14(17)15(22)19-11-13(21)20(4)10-8-12-7-5-6-9-18-12;;/h5-7,9,14H,8,10-11,17H2,1-4H3,(H,19,22);2*1H/t14-;;/m1../s1
InChIKeyFAMOLOVMJMWQHW-FMOMHUKBSA-N
MW379.33 g/mol
LogP1.42
Rot. Bonds6

About (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride

(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride (PubChem CID 119873322) has the molecular formula C16H28Cl2N4O2 and a molecular weight of 379.33 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
PubChem CID119873322
Molecular FormulaC16H28Cl2N4O2
Molecular Weight379.33 g/mol
Exact Mass378.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-16(2,3)14(17)15(22)19-11-13(21)20(4)10-8-12-7-5-6-9-18-12;;/h5-7,9,14H,8,10-11,17H2,1-4H3,(H,19,22);2*1H/t14-;;/m1../s1
InChIKeyFAMOLOVMJMWQHW-FMOMHUKBSA-N
XLogP1.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride 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

4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 119953602
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 110978479
N-methyl-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110978478
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111175311
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride (CID 119873322) is (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride is CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride?
The InChIKey is FAMOLOVMJMWQHW-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H26N4O2.2ClH/c1-16(2,3)14(17)15(22)19-11-13(21)20(4)10-8-12-7-5-6-9-18-12;;/h5-7,9,14H,8,10-11,17H2,1-4H3,(H,19,22);2*1H/t14-;;/m1../s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119873322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).