2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide

C21H30N2O3 — CID 133205908

IUPAC2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
SMILESCCCOc1ccc(NC(=O)C(C)(CCC)OCCC)c2cccnc12
InChIInChI=1S/C21H30N2O3/c1-5-12-21(4,26-15-7-3)20(24)23-17-10-11-18(25-14-6-2)19-16(17)9-8-13-22-19/h8-11,13H,5-7,12,14-15H2,1-4H3,(H,23,24)
InChIKeyVWPBMWOQWZAECH-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.95
Rot. Bonds10

About 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide

2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide (PubChem CID 133205908) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
PubChem CID133205908
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
SMILESCCCOc1ccc(NC(=O)C(C)(CCC)OCCC)c2cccnc12
InChIInChI=1S/C21H30N2O3/c1-5-12-21(4,26-15-7-3)20(24)23-17-10-11-18(25-14-6-2)19-16(17)9-8-13-22-19/h8-11,13H,5-7,12,14-15H2,1-4H3,(H,23,24)
InChIKeyVWPBMWOQWZAECH-UHFFFAOYSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(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
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 100777796
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The IUPAC name of 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide (CID 133205908) is 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide.
What is the SMILES notation for 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The canonical SMILES for 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide is CCCOc1ccc(NC(=O)C(C)(CCC)OCCC)c2cccnc12.
What is the InChIKey of 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The InChIKey is VWPBMWOQWZAECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-5-12-21(4,26-15-7-3)20(24)23-17-10-11-18(25-14-6-2)19-16(17)9-8-13-22-19/h8-11,13H,5-7,12,14-15H2,1-4H3,(H,23,24).
What are the key properties of 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide has a molecular weight of 358.48 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide is sourced from PubChem (CID 133205908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).