2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide

C19H20N2O4 — CID 4196722

IUPAC2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C19H20N2O4/c22-18(20-11-13-5-3-9-24-13)17-15-7-1-2-8-16(15)19(23)21(17)12-14-6-4-10-25-14/h1-2,4,6-8,10,13,17H,3,5,9,11-12H2,(H,20,22)
InChIKeyIOGPNAUETBLASO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.27
Rot. Bonds5

About 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide

2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (PubChem CID 4196722) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
PubChem CID4196722
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C19H20N2O4/c22-18(20-11-13-5-3-9-24-13)17-15-7-1-2-8-16(15)19(23)21(17)12-14-6-4-10-25-14/h1-2,4,6-8,10,13,17H,3,5,9,11-12H2,(H,20,22)
InChIKeyIOGPNAUETBLASO-UHFFFAOYSA-N
XLogP2.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 22585725
2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 7394298
(3S,4S)-2-(2-methoxyethyl)-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020505
(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174786
(4S)-2-benzyl-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 95792434
(1R)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096305
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7596682

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (CID 4196722) is 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The InChIKey is IOGPNAUETBLASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(20-11-13-5-3-9-24-13)17-15-7-1-2-8-16(15)19(23)21(17)12-14-6-4-10-25-14/h1-2,4,6-8,10,13,17H,3,5,9,11-12H2,(H,20,22).
What are the key properties of 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 4196722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).