N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide

C17H17N3O3 — CID 16671653

IUPACN-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide
SMILESCC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-2-13(19-16(21)15-8-5-9-23-15)11-20-17(22)14-7-4-3-6-12(14)10-18-20/h3-10,13H,2,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyZJIMEVHUTNELHO-ZDUSSCGKSA-N
MW311.34 g/mol
LogP2.20
Rot. Bonds5

About N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide

N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide (PubChem CID 16671653) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide
PubChem CID16671653
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide
SMILESCC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-2-13(19-16(21)15-8-5-9-23-15)11-20-17(22)14-7-4-3-6-12(14)10-18-20/h3-10,13H,2,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyZJIMEVHUTNELHO-ZDUSSCGKSA-N
XLogP2.20
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide (CID 16671653) is N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide is CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide?
The InChIKey is ZJIMEVHUTNELHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-13(19-16(21)15-8-5-9-23-15)11-20-17(22)14-7-4-3-6-12(14)10-18-20/h3-10,13H,2,11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 16671653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).