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

C22H19NO4 — CID 4914336

IUPACN-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc12
InChIInChI=1S/C22H19NO4/c1-13-12-26-19-10-20-17(8-16(13)19)14(2)18(22(25)27-20)9-21(24)23-11-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)
InChIKeyUIDJKVRCHXUCOP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.01
Rot. Bonds4

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

N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4914336) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4914336
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc12
InChIInChI=1S/C22H19NO4/c1-13-12-26-19-10-20-17(8-16(13)19)14(2)18(22(25)27-20)9-21(24)23-11-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)
InChIKeyUIDJKVRCHXUCOP-UHFFFAOYSA-N
XLogP4.01
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.01
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-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 4914336) is N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc12.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is UIDJKVRCHXUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-13-12-26-19-10-20-17(8-16(13)19)14(2)18(22(25)27-20)9-21(24)23-11-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4914336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).