2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide

C17H22N2O2 — CID 100773580

IUPAC2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12
InChIInChI=1S/C17H22N2O2/c1-5-11-21-14-9-8-13(19-16(20)17(2,3)4)12-7-6-10-18-15(12)14/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyNOZVZWWHOWSICI-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.01
Rot. Bonds4

About 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide

2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide (PubChem CID 100773580) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
PubChem CID100773580
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12
InChIInChI=1S/C17H22N2O2/c1-5-11-21-14-9-8-13(19-16(20)17(2,3)4)12-7-6-10-18-15(12)14/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyNOZVZWWHOWSICI-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 100777796
2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100777551

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide (CID 100773580) is 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide is CCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12.
What is the InChIKey of 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide?
The InChIKey is NOZVZWWHOWSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-11-21-14-9-8-13(19-16(20)17(2,3)4)12-7-6-10-18-15(12)14/h6-10H,5,11H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide?
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide is sourced from PubChem (CID 100773580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).