N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

C22H23NO6 — CID 4967645

IUPACN-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3
InChIInChI=1S/C22H23NO6/c1-13-9-19(25)28-21-15-6-7-22(2,3)29-16(15)10-17(20(13)21)27-12-18(24)23-11-14-5-4-8-26-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,23,24)
InChIKeyMLHUAGQEFJUVAY-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.49
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (PubChem CID 4967645) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
PubChem CID4967645
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3
InChIInChI=1S/C22H23NO6/c1-13-9-19(25)28-21-15-6-7-22(2,3)29-16(15)10-17(20(13)21)27-12-18(24)23-11-14-5-4-8-26-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,23,24)
InChIKeyMLHUAGQEFJUVAY-UHFFFAOYSA-N
XLogP3.49
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (CID 4967645) is N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The InChIKey is MLHUAGQEFJUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-13-9-19(25)28-21-15-6-7-22(2,3)29-16(15)10-17(20(13)21)27-12-18(24)23-11-14-5-4-8-26-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide has a molecular weight of 397.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is sourced from PubChem (CID 4967645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).