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

C19H26N2O2 — CID 113116402

IUPACN-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)C1CCCC1
InChIInChI=1S/C19H26N2O2/c1-15(22)20(17-9-3-4-10-17)14-12-19(23)21-13-6-8-16-7-2-5-11-18(16)21/h2,5,7,11,17H,3-4,6,8-10,12-14H2,1H3
InChIKeyCAEFZXNNYXTLPC-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.15
Rot. Bonds4

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

N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113116402) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
PubChem CID113116402
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)C1CCCC1
InChIInChI=1S/C19H26N2O2/c1-15(22)20(17-9-3-4-10-17)14-12-19(23)21-13-6-8-16-7-2-5-11-18(16)21/h2,5,7,11,17H,3-4,6,8-10,12-14H2,1H3
InChIKeyCAEFZXNNYXTLPC-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 61185424
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (CID 113116402) is N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCCc2ccccc21)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is CAEFZXNNYXTLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15(22)20(17-9-3-4-10-17)14-12-19(23)21-13-6-8-16-7-2-5-11-18(16)21/h2,5,7,11,17H,3-4,6,8-10,12-14H2,1H3.
What are the key properties of N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113116402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).