N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide

C24H21NO4 — CID 23605602

IUPACN-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1C
InChIInChI=1S/C24H21NO4/c1-16-10-11-20-21(26)13-22(29-23(20)17(16)2)24(27)25(15-19-9-6-12-28-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyRQPWLDGDJSRUGE-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.85
Rot. Bonds5

About N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide

N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 23605602) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID23605602
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1C
InChIInChI=1S/C24H21NO4/c1-16-10-11-20-21(26)13-22(29-23(20)17(16)2)24(27)25(15-19-9-6-12-28-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyRQPWLDGDJSRUGE-UHFFFAOYSA-N
XLogP4.85
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide (CID 23605602) is N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1C.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is RQPWLDGDJSRUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-10-11-20-21(26)13-22(29-23(20)17(16)2)24(27)25(15-19-9-6-12-28-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-7,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 23605602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).