(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

C24H18N2O6 — CID 2190894

IUPAC(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H18N2O6/c1-15-8-10-16(11-9-15)21(27)25-20(13-17-5-4-12-31-17)24(30)32-14-26-22(28)18-6-2-3-7-19(18)23(26)29/h2-13H,14H2,1H3,(H,25,27)/b20-13+
InChIKeyYILHGILGMPZCLK-DEDYPNTBSA-N
MW430.42 g/mol
LogP3.16
Rot. Bonds6

About (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (PubChem CID 2190894) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
PubChem CID2190894
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H18N2O6/c1-15-8-10-16(11-9-15)21(27)25-20(13-17-5-4-12-31-17)24(30)32-14-26-22(28)18-6-2-3-7-19(18)23(26)29/h2-13H,14H2,1H3,(H,25,27)/b20-13+
InChIKeyYILHGILGMPZCLK-DEDYPNTBSA-N
XLogP3.16
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate with MolForge

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Related Compounds

2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655
2-ethyl-N-(2-furylmethyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4367205
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 664218
N-[1-[(2,6-dimethyl-4-morpholinyl)carbonyl]-2-(2-furyl)vinyl]-3,4-dimethylbenzamide
CID 6533531
N-[2-(2-furyl)-1-(4-morpholinylcarbonyl)vinyl]-3,4-dimethylbenzamide
CID 6537004
N-[2-Furan-2-yl-1-(morpholine-4-carbonyl)-vinyl]-4-methyl-benzamide
CID 680240
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-furan-2-ylmethyl-propionamide
CID 682230
2-[4-[[2-(Furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl]acetic acid
CID 1026335
4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 1164668
2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 1289087
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl 2-(benzoylamino)-3-(2-furyl)acrylate
CID 2175334

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (CID 2190894) is (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The InChIKey is YILHGILGMPZCLK-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-15-8-10-16(11-9-15)21(27)25-20(13-17-5-4-12-31-17)24(30)32-14-26-22(28)18-6-2-3-7-19(18)23(26)29/h2-13H,14H2,1H3,(H,25,27)/b20-13+.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
(1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate has a molecular weight of 430.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl (E)-3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 2190894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).