N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C20H22N2O3 — CID 17426273

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O3/c1-14-6-8-16-4-2-3-5-17(16)22(14)12-20(23)21-11-15-7-9-18-19(10-15)25-13-24-18/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,21,23)
InChIKeySATMEUGTFQFEDO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.87
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 17426273) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID17426273
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O3/c1-14-6-8-16-4-2-3-5-17(16)22(14)12-20(23)21-11-15-7-9-18-19(10-15)25-13-24-18/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,21,23)
InChIKeySATMEUGTFQFEDO-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide
CID 7353824
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899813
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560988
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanopiperidin-1-yl)acetamide
CID 171701277
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetamide
CID 19056491
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 9326599
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8686076

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 17426273) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC1CCc2ccccc2N1CC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is SATMEUGTFQFEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-8-16-4-2-3-5-17(16)22(14)12-20(23)21-11-15-7-9-18-19(10-15)25-13-24-18/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 17426273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).