2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide

C22H27NO5 — CID 4972020

IUPAC2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O
InChIInChI=1S/C22H27NO5/c1-12-9-16-19(20-18(12)15(11-27-20)22(3,4)5)13(2)14(21(25)28-16)10-17(24)23-7-8-26-6/h9,11H,7-8,10H2,1-6H3,(H,23,24)
InChIKeyCRWYBHKSXNTQEA-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide

2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 4972020) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide
PubChem CID4972020
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O
InChIInChI=1S/C22H27NO5/c1-12-9-16-19(20-18(12)15(11-27-20)22(3,4)5)13(2)14(21(25)28-16)10-17(24)23-7-8-26-6/h9,11H,7-8,10H2,1-6H3,(H,23,24)
InChIKeyCRWYBHKSXNTQEA-UHFFFAOYSA-N
XLogP3.76
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide (CID 4972020) is 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O.
What is the InChIKey of 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is CRWYBHKSXNTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-12-9-16-19(20-18(12)15(11-27-20)22(3,4)5)13(2)14(21(25)28-16)10-17(24)23-7-8-26-6/h9,11H,7-8,10H2,1-6H3,(H,23,24).
What are the key properties of 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide?
2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4972020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).