4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide

C24H27N3O3 — CID 78836623

IUPAC4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C24H27N3O3/c1-2-3-16-30-21-11-9-20(10-12-21)24(29)27-17-22(28)25-15-13-19-7-4-6-18-8-5-14-26-23(18)19/h4-12,14H,2-3,13,15-17H2,1H3,(H,25,28)(H,27,29)
InChIKeyRSEAWYVHNYTQDZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.50
Rot. Bonds10

About 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide

4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide (PubChem CID 78836623) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
PubChem CID78836623
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C24H27N3O3/c1-2-3-16-30-21-11-9-20(10-12-21)24(29)27-17-22(28)25-15-13-19-7-4-6-18-8-5-14-26-23(18)19/h4-12,14H,2-3,13,15-17H2,1H3,(H,25,28)(H,27,29)
InChIKeyRSEAWYVHNYTQDZ-UHFFFAOYSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.50
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

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-fluoro-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 18149345
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide (CID 78836623) is 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCCc2cccc3cccnc23)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide?
The InChIKey is RSEAWYVHNYTQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-3-16-30-21-11-9-20(10-12-21)24(29)27-17-22(28)25-15-13-19-7-4-6-18-8-5-14-26-23(18)19/h4-12,14H,2-3,13,15-17H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide?
4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide is sourced from PubChem (CID 78836623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).