N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide

C26H26N2O2 — CID 99217097

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C26H26N2O2/c29-25(18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21)27-19-26(30)28-17-9-15-22-14-7-8-16-24(22)28/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,29)
InChIKeyWLNXPCPIICLFKQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide (PubChem CID 99217097) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
PubChem CID99217097
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C26H26N2O2/c29-25(18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21)27-19-26(30)28-17-9-15-22-14-7-8-16-24(22)28/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,29)
InChIKeyWLNXPCPIICLFKQ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide (CID 99217097) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide?
The InChIKey is WLNXPCPIICLFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21)27-19-26(30)28-17-9-15-22-14-7-8-16-24(22)28/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,29).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide has a molecular weight of 398.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 99217097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).