N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide

C20H29N3O2 — CID 58460379

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12
InChIInChI=1S/C20H29N3O2/c1-6-14(7-2)19(24)23-20(4,5)12-25-17-10-8-9-16-18(17)15(21)11-13(3)22-16/h8-11,14H,6-7,12H2,1-5H3,(H2,21,22)(H,23,24)
InChIKeyORJTVAFDCIWZCM-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.84
Rot. Bonds7

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide (PubChem CID 58460379) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
PubChem CID58460379
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12
InChIInChI=1S/C20H29N3O2/c1-6-14(7-2)19(24)23-20(4,5)12-25-17-10-8-9-16-18(17)15(21)11-13(3)22-16/h8-11,14H,6-7,12H2,1-5H3,(H2,21,22)(H,23,24)
InChIKeyORJTVAFDCIWZCM-UHFFFAOYSA-N
XLogP3.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide (CID 58460379) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide?
The InChIKey is ORJTVAFDCIWZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-14(7-2)19(24)23-20(4,5)12-25-17-10-8-9-16-18(17)15(21)11-13(3)22-16/h8-11,14H,6-7,12H2,1-5H3,(H2,21,22)(H,23,24).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide has a molecular weight of 343.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide is sourced from PubChem (CID 58460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).