4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide

C26H31N3O3 — CID 56585451

IUPAC4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C26H31N3O3/c1-18(29-25(31)20-11-13-21(14-12-20)26(2,3)4)24(30)28-16-7-17-32-22-10-5-8-19-9-6-15-27-23(19)22/h5-6,8-15,18H,7,16-17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMAQWBNKOBXSMMD-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.24
Rot. Bonds8

About 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide

4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide (PubChem CID 56585451) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
PubChem CID56585451
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C26H31N3O3/c1-18(29-25(31)20-11-13-21(14-12-20)26(2,3)4)24(30)28-16-7-17-32-22-10-5-8-19-9-6-15-27-23(19)22/h5-6,8-15,18H,7,16-17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMAQWBNKOBXSMMD-UHFFFAOYSA-N
XLogP4.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56535094
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46470503
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 56585798

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide (CID 56585451) is 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide?
The InChIKey is MAQWBNKOBXSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18(29-25(31)20-11-13-21(14-12-20)26(2,3)4)24(30)28-16-7-17-32-22-10-5-8-19-9-6-15-27-23(19)22/h5-6,8-15,18H,7,16-17H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide?
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide is sourced from PubChem (CID 56585451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).