N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C16H14N4O4 — CID 24683439

IUPACN-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C16H14N4O4/c21-14-11-5-2-1-4-10(11)13(19-20-14)16(23)18-8-7-17-15(22)12-6-3-9-24-12/h1-6,9H,7-8H2,(H,17,22)(H,18,23)(H,20,21)
InChIKeyKGBOECYPPWQODG-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 24683439) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID24683439
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C16H14N4O4/c21-14-11-5-2-1-4-10(11)13(19-20-14)16(23)18-8-7-17-15(22)12-6-3-9-24-12/h1-6,9H,7-8H2,(H,17,22)(H,18,23)(H,20,21)
InChIKeyKGBOECYPPWQODG-UHFFFAOYSA-N
XLogP0.68
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78869375
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
4-oxo-N-pent-4-ynyl-3H-phthalazine-1-carboxamide
CID 103708902
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 136666096
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4869738
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 24683439) is N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCCNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is KGBOECYPPWQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14-11-5-2-1-4-10(11)13(19-20-14)16(23)18-8-7-17-15(22)12-6-3-9-24-12/h1-6,9H,7-8H2,(H,17,22)(H,18,23)(H,20,21).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 24683439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).