N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide

C24H24N2O3 — CID 58859727

IUPACN-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-17(27)25(18-10-5-4-6-11-18)21-16-24(2,3)26(20-13-8-7-12-19(20)21)23(28)22-14-9-15-29-22/h4-15,21H,16H2,1-3H3
InChIKeyZVVCNFIKQXFFRU-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.20
Rot. Bonds3

About N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide

N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide (PubChem CID 58859727) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide
PubChem CID58859727
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)(C)N(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-17(27)25(18-10-5-4-6-11-18)21-16-24(2,3)26(20-13-8-7-12-19(20)21)23(28)22-14-9-15-29-22/h4-15,21H,16H2,1-3H3
InChIKeyZVVCNFIKQXFFRU-UHFFFAOYSA-N
XLogP5.20
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide (CID 58859727) is N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)(C)N(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide?
The InChIKey is ZVVCNFIKQXFFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17(27)25(18-10-5-4-6-11-18)21-16-24(2,3)26(20-13-8-7-12-19(20)21)23(28)22-14-9-15-29-22/h4-15,21H,16H2,1-3H3.
What are the key properties of N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide?
N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide has a molecular weight of 388.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 58859727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).