N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide

C26H25N3O3 — CID 95091921

IUPACN-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25N3O3/c30-23(18-27-25(31)21-13-5-2-6-14-21)28-24(20-11-3-1-4-12-20)26(32)29-17-9-15-19-10-7-8-16-22(19)29/h1-8,10-14,16,24H,9,15,17-18H2,(H,27,31)(H,28,30)/t24-/m1/s1
InChIKeyRZBWCPOWVOPCAV-XMMPIXPASA-N
MW427.50 g/mol
LogP3.25
Rot. Bonds6

About N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide

N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 95091921) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
PubChem CID95091921
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25N3O3/c30-23(18-27-25(31)21-13-5-2-6-14-21)28-24(20-11-3-1-4-12-20)26(32)29-17-9-15-19-10-7-8-16-22(19)29/h1-8,10-14,16,24H,9,15,17-18H2,(H,27,31)(H,28,30)/t24-/m1/s1
InChIKeyRZBWCPOWVOPCAV-XMMPIXPASA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
CID 95092008
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
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
5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 95092006
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 95091954
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide (CID 95091921) is N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RZBWCPOWVOPCAV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25N3O3/c30-23(18-27-25(31)21-13-5-2-6-14-21)28-24(20-11-3-1-4-12-20)26(32)29-17-9-15-19-10-7-8-16-22(19)29/h1-8,10-14,16,24H,9,15,17-18H2,(H,27,31)(H,28,30)/t24-/m1/s1.
What are the key properties of N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 95091921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).