5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide

C24H33N3O3 — CID 123948744

IUPAC5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide
SMILESNC(=O)CN(CCc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C24H33N3O3/c25-22(28)18-26(17-15-19-8-2-1-3-9-19)23(29)13-6-14-24(30)27-16-7-11-20-10-4-5-12-21(20)27/h1-3,8-9,12,20H,4-7,10-11,13-18H2,(H2,25,28)
InChIKeyBOYUBPHZOHPVAH-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.02
Rot. Bonds9

About 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide (PubChem CID 123948744) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide
PubChem CID123948744
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide
SMILESNC(=O)CN(CCc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C24H33N3O3/c25-22(28)18-26(17-15-19-8-2-1-3-9-19)23(29)13-6-14-24(30)27-16-7-11-20-10-4-5-12-21(20)27/h1-3,8-9,12,20H,4-7,10-11,13-18H2,(H2,25,28)
InChIKeyBOYUBPHZOHPVAH-UHFFFAOYSA-N
XLogP3.02
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide
CID 123360631
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794939
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide
CID 123268617
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
CID 66794253
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N-(1-adamantyl)-6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-6-oxohexanamide
CID 123493465
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide (CID 123948744) is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide is NC(=O)CN(CCc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide?
The InChIKey is BOYUBPHZOHPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c25-22(28)18-26(17-15-19-8-2-1-3-9-19)23(29)13-6-14-24(30)27-16-7-11-20-10-4-5-12-21(20)27/h1-3,8-9,12,20H,4-7,10-11,13-18H2,(H2,25,28).
What are the key properties of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide?
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide has a molecular weight of 411.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 123948744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).