N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C17H18N2O3 — CID 74230715

IUPACN-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCCCc1ccco1
InChIInChI=1S/C17H18N2O3/c20-16(18-9-3-5-12-6-4-10-22-12)11-15-13-7-1-2-8-14(13)17(21)19-15/h1-2,4,6-8,10,15H,3,5,9,11H2,(H,18,20)(H,19,21)
InChIKeyPAJRGFSMXSWTHE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.20
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 74230715) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID74230715
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCCCc1ccco1
InChIInChI=1S/C17H18N2O3/c20-16(18-9-3-5-12-6-4-10-22-12)11-15-13-7-1-2-8-14(13)17(21)19-15/h1-2,4,6-8,10,15H,3,5,9,11H2,(H,18,20)(H,19,21)
InChIKeyPAJRGFSMXSWTHE-UHFFFAOYSA-N
XLogP2.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 98207379
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97489803
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 50949631
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 126426160
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 74230715) is N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is O=C(CC1NC(=O)c2ccccc21)NCCCc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is PAJRGFSMXSWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(18-9-3-5-12-6-4-10-22-12)11-15-13-7-1-2-8-14(13)17(21)19-15/h1-2,4,6-8,10,15H,3,5,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 74230715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).