N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

C19H18N2O4 — CID 24979971

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O
InChIInChI=1S/C19H18N2O4/c1-4-9-21-18(23)15-8-6-13(10-16(15)19(21)24)17(22)20(3)11-14-7-5-12(2)25-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyCNUHFCOIVQBECV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (PubChem CID 24979971) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
PubChem CID24979971
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O
InChIInChI=1S/C19H18N2O4/c1-4-9-21-18(23)15-8-6-13(10-16(15)19(21)24)17(22)20(3)11-14-7-5-12(2)25-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyCNUHFCOIVQBECV-UHFFFAOYSA-N
XLogP2.64
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (CID 24979971) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The InChIKey is CNUHFCOIVQBECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-9-21-18(23)15-8-6-13(10-16(15)19(21)24)17(22)20(3)11-14-7-5-12(2)25-14/h4-8,10H,1,9,11H2,2-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 24979971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).