N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide

C23H22N2O4 — CID 51148631

IUPACN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H22N2O4/c26-19(14-25-22(27)20-16-8-9-17(11-16)21(20)23(25)28)24(13-18-7-4-10-29-18)12-15-5-2-1-3-6-15/h1-10,16-17,20-21H,11-14H2
InChIKeySACZBXFECYFSBP-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.62
Rot. Bonds6

About N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 51148631) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID51148631
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H22N2O4/c26-19(14-25-22(27)20-16-8-9-17(11-16)21(20)23(25)28)24(13-18-7-4-10-29-18)12-15-5-2-1-3-6-15/h1-10,16-17,20-21H,11-14H2
InChIKeySACZBXFECYFSBP-UHFFFAOYSA-N
XLogP2.62
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-butyl-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98182241
(1R,2S,6R,7R)-4-[[[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 125027432
N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888860
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
N,N-dibenzyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78764902
N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide (CID 51148631) is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SACZBXFECYFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-19(14-25-22(27)20-16-8-9-17(11-16)21(20)23(25)28)24(13-18-7-4-10-29-18)12-15-5-2-1-3-6-15/h1-10,16-17,20-21H,11-14H2.
What are the key properties of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51148631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).