3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide

C19H28N2O2 — CID 16927141

IUPAC3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21
InChIInChI=1S/C19H28N2O2/c1-13(2)12-21-16-8-7-15(10-14(16)6-9-18(21)23)20-17(22)11-19(3,4)5/h7-8,10,13H,6,9,11-12H2,1-5H3,(H,20,22)
InChIKeyQBMSNJLRAMTART-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.00
Rot. Bonds4

About 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide

3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide (PubChem CID 16927141) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
PubChem CID16927141
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21
InChIInChI=1S/C19H28N2O2/c1-13(2)12-21-16-8-7-15(10-14(16)6-9-18(21)23)20-17(22)11-19(3,4)5/h7-8,10,13H,6,9,11-12H2,1-5H3,(H,20,22)
InChIKeyQBMSNJLRAMTART-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
CID 16828121
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]naphthalene-1-carboxamide
CID 16927149
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide (CID 16927141) is 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide is CC(C)CN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21.
What is the InChIKey of 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide?
The InChIKey is QBMSNJLRAMTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)12-21-16-8-7-15(10-14(16)6-9-18(21)23)20-17(22)11-19(3,4)5/h7-8,10,13H,6,9,11-12H2,1-5H3,(H,20,22).
What are the key properties of 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide?
3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide has a molecular weight of 316.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide is sourced from PubChem (CID 16927141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).