N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide

C23H25N3O3 — CID 134798872

IUPACN-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide
SMILESCCOCCCNC(=O)CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O3/c1-2-29-13-5-12-24-22(27)16-26-23(28)18-10-8-17(9-11-18)20-14-19-6-3-4-7-21(19)25-15-20/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,24,27)(H,26,28)
InChIKeyIDOIEBHQPFYUME-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.17
Rot. Bonds9

About N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide

N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide (PubChem CID 134798872) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide
PubChem CID134798872
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide
SMILESCCOCCCNC(=O)CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O3/c1-2-29-13-5-12-24-22(27)16-26-23(28)18-10-8-17(9-11-18)20-14-19-6-3-4-7-21(19)25-15-20/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,24,27)(H,26,28)
InChIKeyIDOIEBHQPFYUME-UHFFFAOYSA-N
XLogP3.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.17
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

N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
CID 21361573
N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide
CID 23568731
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
CID 58639670
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide (CID 134798872) is N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide is CCOCCCNC(=O)CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide?
The InChIKey is IDOIEBHQPFYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-29-13-5-12-24-22(27)16-26-23(28)18-10-8-17(9-11-18)20-14-19-6-3-4-7-21(19)25-15-20/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide?
N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide is sourced from PubChem (CID 134798872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).