(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide

C16H21N3O — CID 103929864

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
SMILESCc1ccc2cccc(NC(=O)[C@H](N)C(C)(C)C)c2n1
InChIInChI=1S/C16H21N3O/c1-10-8-9-11-6-5-7-12(13(11)18-10)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeySVBDUUXKVZJELV-AWEZNQCLSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide (PubChem CID 103929864) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
PubChem CID103929864
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
SMILESCc1ccc2cccc(NC(=O)[C@H](N)C(C)(C)C)c2n1
InChIInChI=1S/C16H21N3O/c1-10-8-9-11-6-5-7-12(13(11)18-10)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeySVBDUUXKVZJELV-AWEZNQCLSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)propanamide
CID 17012319
2-(N'-hydroxycarbamimidoyl)-N-(2-methylquinolin-8-yl)butanamide
CID 76978266
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide (CID 103929864) is (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide is Cc1ccc2cccc(NC(=O)[C@H](N)C(C)(C)C)c2n1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The InChIKey is SVBDUUXKVZJELV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-8-9-11-6-5-7-12(13(11)18-10)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide is sourced from PubChem (CID 103929864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).