2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide

C24H22N2O4 — CID 9347174

IUPAC2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc2c(CNc3ccccc3C(=O)NCc3ccco3)cc(=O)oc2c1C
InChIInChI=1S/C24H22N2O4/c1-15-9-10-19-17(12-22(27)30-23(19)16(15)2)13-25-21-8-4-3-7-20(21)24(28)26-14-18-6-5-11-29-18/h3-12,25H,13-14H2,1-2H3,(H,26,28)
InChIKeyDBZPTWQYPQXSMO-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.54
Rot. Bonds6

About 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide

2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 9347174) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID9347174
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc2c(CNc3ccccc3C(=O)NCc3ccco3)cc(=O)oc2c1C
InChIInChI=1S/C24H22N2O4/c1-15-9-10-19-17(12-22(27)30-23(19)16(15)2)13-25-21-8-4-3-7-20(21)24(28)26-14-18-6-5-11-29-18/h3-12,25H,13-14H2,1-2H3,(H,26,28)
InChIKeyDBZPTWQYPQXSMO-UHFFFAOYSA-N
XLogP4.54
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylphenyl]acetamide
CID 34068677
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 7841115
4-[[bis(furan-2-ylmethyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 8841538
(7,8-dimethyl-2-oxochromen-4-yl)methyl-bis(furan-2-ylmethyl)azanium
CID 8841537
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4938606
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3890109
4-[(4-acetylanilino)methyl]-7,8-dimethylchromen-2-one
CID 9345895
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
N-(furan-2-ylmethyl)-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163918
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide (CID 9347174) is 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide is Cc1ccc2c(CNc3ccccc3C(=O)NCc3ccco3)cc(=O)oc2c1C.
What is the InChIKey of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DBZPTWQYPQXSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-9-10-19-17(12-22(27)30-23(19)16(15)2)13-25-21-8-4-3-7-20(21)24(28)26-14-18-6-5-11-29-18/h3-12,25H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 9347174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).