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

C25H25NO4 — CID 4869284

IUPACN-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c12
InChIInChI=1S/C25H25NO4/c1-15-12-20-23(24-22(15)16(2)14-29-24)17(3)19(25(28)30-20)13-21(27)26-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,26,27)
InChIKeyBSYRUSYOAJUEFV-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.76
Rot. Bonds6

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

N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 4869284) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
PubChem CID4869284
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC NameN-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c12
InChIInChI=1S/C25H25NO4/c1-15-12-20-23(24-22(15)16(2)14-29-24)17(3)19(25(28)30-20)13-21(27)26-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,26,27)
InChIKeyBSYRUSYOAJUEFV-UHFFFAOYSA-N
XLogP4.76
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 7096783
N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
CID 4869458
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 40854926
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869895
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
3-phenyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]propanoic acid
CID 73256609
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869285
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773689
2-[6-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]hexanoylamino]-3-phenylpropanoic acid
CID 73256145
[4,7-dimethyl-2-oxo-3-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]chromen-5-yl] acetate
CID 41062397

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (CID 4869284) is N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c12.
What is the InChIKey of N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is BSYRUSYOAJUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-15-12-20-23(24-22(15)16(2)14-29-24)17(3)19(25(28)30-20)13-21(27)26-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H,26,27).
What are the key properties of N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 4869284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).