N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

C23H21NO4 — CID 4868793

IUPACN-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1ccccc1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O
InChIInChI=1S/C23H21NO4/c1-12-7-5-6-8-17(12)24-19(25)10-16-15(4)21-18(28-23(16)26)9-13(2)20-14(3)11-27-22(20)21/h5-9,11H,10H2,1-4H3,(H,24,25)
InChIKeyFPCHBEPWELEKDP-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.95
Rot. Bonds3

About N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 4868793) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
PubChem CID4868793
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1ccccc1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O
InChIInChI=1S/C23H21NO4/c1-12-7-5-6-8-17(12)24-19(25)10-16-15(4)21-18(28-23(16)26)9-13(2)20-14(3)11-27-22(20)21/h5-9,11H,10H2,1-4H3,(H,24,25)
InChIKeyFPCHBEPWELEKDP-UHFFFAOYSA-N
XLogP4.95
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869284
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 7096783
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 40854926
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869895
N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
CID 4869458
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
CID 4869567
N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237529
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
3-phenyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]propanoic acid
CID 73256609
2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41062251
2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 4868974

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (CID 4868793) is N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is Cc1ccccc1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is FPCHBEPWELEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-12-7-5-6-8-17(12)24-19(25)10-16-15(4)21-18(28-23(16)26)9-13(2)20-14(3)11-27-22(20)21/h5-9,11H,10H2,1-4H3,(H,24,25).
What are the key properties of N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 4868793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).