(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide

C18H24N2O3 — CID 100774129

IUPAC(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12
InChIInChI=1S/C18H24N2O3/c1-5-12-23-15-10-9-14(13-8-7-11-19-16(13)15)20-17(21)18(3,6-2)22-4/h7-11H,5-6,12H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyBNMJCWMDHJNQMC-SFHVURJKSA-N
MW316.40 g/mol
LogP3.78
Rot. Bonds7

About (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide

(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide (PubChem CID 100774129) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
PubChem CID100774129
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12
InChIInChI=1S/C18H24N2O3/c1-5-12-23-15-10-9-14(13-8-7-11-19-16(13)15)20-17(21)18(3,6-2)22-4/h7-11H,5-6,12H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyBNMJCWMDHJNQMC-SFHVURJKSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
2-methoxy-2-methyl-N-(4-propoxynaphthalen-1-yl)butanamide
CID 133229716
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide (CID 100774129) is (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide is CCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide?
The InChIKey is BNMJCWMDHJNQMC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-12-23-15-10-9-14(13-8-7-11-19-16(13)15)20-17(21)18(3,6-2)22-4/h7-11H,5-6,12H2,1-4H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide?
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide has a molecular weight of 316.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide is sourced from PubChem (CID 100774129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).