(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide

C22H32N2O3 — CID 100777802

IUPAC(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c2cccnc12
InChIInChI=1S/C22H32N2O3/c1-6-13-26-19-11-10-18(17-9-8-12-23-20(17)19)24-21(25)22(5,15-16(3)4)27-14-7-2/h8-12,16H,6-7,13-15H2,1-5H3,(H,24,25)/t22-/m1/s1
InChIKeyYXCPXIMENOWERF-JOCHJYFZSA-N
MW372.51 g/mol
LogP5.19
Rot. Bonds10

About (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide

(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide (PubChem CID 100777802) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
PubChem CID100777802
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c2cccnc12
InChIInChI=1S/C22H32N2O3/c1-6-13-26-19-11-10-18(17-9-8-12-23-20(17)19)24-21(25)22(5,15-16(3)4)27-14-7-2/h8-12,16H,6-7,13-15H2,1-5H3,(H,24,25)/t22-/m1/s1
InChIKeyYXCPXIMENOWERF-JOCHJYFZSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-methoxy-2,4-dimethyl-N-(8-propan-2-yloxyquinolin-5-yl)pentanamide
CID 133205573
(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 (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The IUPAC name of (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide (CID 100777802) is (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide.
What is the SMILES notation for (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The canonical SMILES for (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide is CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c2cccnc12.
What is the InChIKey of (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
The InChIKey is YXCPXIMENOWERF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-6-13-26-19-11-10-18(17-9-8-12-23-20(17)19)24-21(25)22(5,15-16(3)4)27-14-7-2/h8-12,16H,6-7,13-15H2,1-5H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide?
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide has a molecular weight of 372.51 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide is sourced from PubChem (CID 100777802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).