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

C16H20N2O — CID 110734160

IUPAC3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
SMILESCc1ccc2cccc(NC(=O)CC(C)(C)C)c2n1
InChIInChI=1S/C16H20N2O/c1-11-8-9-12-6-5-7-13(15(12)17-11)18-14(19)10-16(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyHMDOYDJZYALMNH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.92
Rot. Bonds2

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

3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide (PubChem CID 110734160) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
PubChem CID110734160
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
SMILESCc1ccc2cccc(NC(=O)CC(C)(C)C)c2n1
InChIInChI=1S/C16H20N2O/c1-11-8-9-12-6-5-7-13(15(12)17-11)18-14(19)10-16(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyHMDOYDJZYALMNH-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide (CID 110734160) is 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide is Cc1ccc2cccc(NC(=O)CC(C)(C)C)c2n1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
The InChIKey is HMDOYDJZYALMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-9-12-6-5-7-13(15(12)17-11)18-14(19)10-16(2,3)4/h5-9H,10H2,1-4H3,(H,18,19).
What are the key properties of 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide?
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide is sourced from PubChem (CID 110734160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).