N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

C25H25N3O2 — CID 54817007

IUPACN-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c29-24(18-28-16-6-10-20-9-4-5-11-23(20)28)27-22-14-12-21(13-15-22)25(30)26-17-19-7-2-1-3-8-19/h1-5,7-9,11-15H,6,10,16-18H2,(H,26,30)(H,27,29)
InChIKeyOVTSAUMAJBNVMX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (PubChem CID 54817007) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
PubChem CID54817007
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c29-24(18-28-16-6-10-20-9-4-5-11-23(20)28)27-22-14-12-21(13-15-22)25(30)26-17-19-7-2-1-3-8-19/h1-5,7-9,11-15H,6,10,16-18H2,(H,26,30)(H,27,29)
InChIKeyOVTSAUMAJBNVMX-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 166219373
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943913
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (CID 54817007) is N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is O=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The InChIKey is OVTSAUMAJBNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(18-28-16-6-10-20-9-4-5-11-23(20)28)27-22-14-12-21(13-15-22)25(30)26-17-19-7-2-1-3-8-19/h1-5,7-9,11-15H,6,10,16-18H2,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 54817007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).