[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

C19H17N3O6 — CID 8853221

IUPAC[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)o1
InChIInChI=1S/C19H17N3O6/c1-11(23)20-9-12-6-7-17(28-12)16(24)10-27-18(25)8-15-13-4-2-3-5-14(13)19(26)22-21-15/h2-7H,8-10H2,1H3,(H,20,23)(H,22,26)
InChIKeyPUVNDPZSAWQSRR-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.12
Rot. Bonds7

About [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 8853221) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID8853221
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)o1
InChIInChI=1S/C19H17N3O6/c1-11(23)20-9-12-6-7-17(28-12)16(24)10-27-18(25)8-15-13-4-2-3-5-14(13)19(26)22-21-15/h2-7H,8-10H2,1H3,(H,20,23)(H,22,26)
InChIKeyPUVNDPZSAWQSRR-UHFFFAOYSA-N
XLogP1.12
TPSA131.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 8853221) is [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is CC(=O)NCc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)o1.
What is the InChIKey of [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is PUVNDPZSAWQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-11(23)20-9-12-6-7-17(28-12)16(24)10-27-18(25)8-15-13-4-2-3-5-14(13)19(26)22-21-15/h2-7H,8-10H2,1H3,(H,20,23)(H,22,26).
What are the key properties of [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 383.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 8853221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).