N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

C21H22N2O4 — CID 113132893

IUPACN-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N2O4/c1-15(24)22(17-8-9-19-20(13-17)27-14-26-19)12-10-21(25)23-11-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3
InChIKeyKULNLJRDXUPEOW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.14
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113132893) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
PubChem CID113132893
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N2O4/c1-15(24)22(17-8-9-19-20(13-17)27-14-26-19)12-10-21(25)23-11-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3
InChIKeyKULNLJRDXUPEOW-UHFFFAOYSA-N
XLogP3.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132829
N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113127883
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 3875644

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (CID 113132893) is N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is KULNLJRDXUPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15(24)22(17-8-9-19-20(13-17)27-14-26-19)12-10-21(25)23-11-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113132893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).