4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide

C24H27N3O3 — CID 46584717

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC1CCCc2ccccc21
InChIInChI=1S/C24H27N3O3/c28-22(25-15-19-7-3-6-17-5-1-2-8-21(17)19)16-26-24(30)18-10-12-20(13-11-18)27-14-4-9-23(27)29/h1-2,5,8,10-13,19H,3-4,6-7,9,14-16H2,(H,25,28)(H,26,30)
InChIKeyDLHQVENRCOYQPI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.78
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide (PubChem CID 46584717) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide
PubChem CID46584717
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC1CCCc2ccccc21
InChIInChI=1S/C24H27N3O3/c28-22(25-15-19-7-3-6-17-5-1-2-8-21(17)19)16-26-24(30)18-10-12-20(13-11-18)27-14-4-9-23(27)29/h1-2,5,8,10-13,19H,3-4,6-7,9,14-16H2,(H,25,28)(H,26,30)
InChIKeyDLHQVENRCOYQPI-UHFFFAOYSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide with MolForge

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
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CID 24636689
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99795462
N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 86960228
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24637861
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide (CID 46584717) is 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC1CCCc2ccccc21.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide?
The InChIKey is DLHQVENRCOYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22(25-15-19-7-3-6-17-5-1-2-8-21(17)19)16-26-24(30)18-10-12-20(13-11-18)27-14-4-9-23(27)29/h1-2,5,8,10-13,19H,3-4,6-7,9,14-16H2,(H,25,28)(H,26,30).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 46584717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).