N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

C23H21NO4 — CID 4914319

IUPACN-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1C
InChIInChI=1S/C23H21NO4/c1-13-15(3)27-20-11-21-18(9-17(13)20)14(2)19(23(26)28-21)10-22(25)24-12-16-7-5-4-6-8-16/h4-9,11H,10,12H2,1-3H3,(H,24,25)
InChIKeyINZSVDZKOXVRRC-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.32
Rot. Bonds4

About N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4914319) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4914319
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1C
InChIInChI=1S/C23H21NO4/c1-13-15(3)27-20-11-21-18(9-17(13)20)14(2)19(23(26)28-21)10-22(25)24-12-16-7-5-4-6-8-16/h4-9,11H,10,12H2,1-3H3,(H,24,25)
InChIKeyINZSVDZKOXVRRC-UHFFFAOYSA-N
XLogP4.32
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 4914319) is N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1C.
What is the InChIKey of N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is INZSVDZKOXVRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-13-15(3)27-20-11-21-18(9-17(13)20)14(2)19(23(26)28-21)10-22(25)24-12-16-7-5-4-6-8-16/h4-9,11H,10,12H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4914319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).