N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide

C26H26N2O3 — CID 95092000

IUPACN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-2-31-22-16-14-21(15-17-22)25(29)27-24(20-10-4-3-5-11-20)26(30)28-18-8-12-19-9-6-7-13-23(19)28/h3-7,9-11,13-17,24H,2,8,12,18H2,1H3,(H,27,29)/t24-/m0/s1
InChIKeyIBBHVTHHTIEMOX-DEOSSOPVSA-N
MW414.51 g/mol
LogP4.54
Rot. Bonds6

About N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide

N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide (PubChem CID 95092000) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
PubChem CID95092000
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-2-31-22-16-14-21(15-17-22)25(29)27-24(20-10-4-3-5-11-20)26(30)28-18-8-12-19-9-6-7-13-23(19)28/h3-7,9-11,13-17,24H,2,8,12,18H2,1H3,(H,27,29)/t24-/m0/s1
InChIKeyIBBHVTHHTIEMOX-DEOSSOPVSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 95092006
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 95091925
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide?
The IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide (CID 95092000) is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide?
The InChIKey is IBBHVTHHTIEMOX-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-2-31-22-16-14-21(15-17-22)25(29)27-24(20-10-4-3-5-11-20)26(30)28-18-8-12-19-9-6-7-13-23(19)28/h3-7,9-11,13-17,24H,2,8,12,18H2,1H3,(H,27,29)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide?
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide is sourced from PubChem (CID 95092000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).