N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide

C19H19N3O6 — CID 2570750

IUPACN-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O
InChIInChI=1S/C19H19N3O6/c1-3-4-7-21-17(25)18(26)22(19(21)27)10-12-8-16(24)28-15-9-13(20-11(2)23)5-6-14(12)15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,23)
InChIKeyZIXGIXBCLPIZDF-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.84
Rot. Bonds6

About N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide

N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide (PubChem CID 2570750) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
PubChem CID2570750
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O
InChIInChI=1S/C19H19N3O6/c1-3-4-7-21-17(25)18(26)22(19(21)27)10-12-8-16(24)28-15-9-13(20-11(2)23)5-6-14(12)15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,23)
InChIKeyZIXGIXBCLPIZDF-UHFFFAOYSA-N
XLogP1.84
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The IUPAC name of N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide (CID 2570750) is N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide.
What is the SMILES notation for N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The canonical SMILES for N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide is CCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O.
What is the InChIKey of N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The InChIKey is ZIXGIXBCLPIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-3-4-7-21-17(25)18(26)22(19(21)27)10-12-8-16(24)28-15-9-13(20-11(2)23)5-6-14(12)15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide has a molecular weight of 385.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide is sourced from PubChem (CID 2570750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).