3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C18H18N4O5 — CID 40669798

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C18H18N4O5/c23-15(20-11-16(24)19-10-12-4-3-9-27-12)7-8-22-18(26)14-6-2-1-5-13(14)17(25)21-22/h1-6,9H,7-8,10-11H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyXFEUDWKJUWYUEQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.11
Rot. Bonds7

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 40669798) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID40669798
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C18H18N4O5/c23-15(20-11-16(24)19-10-12-4-3-9-27-12)7-8-22-18(26)14-6-2-1-5-13(14)17(25)21-22/h1-6,9H,7-8,10-11H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyXFEUDWKJUWYUEQ-UHFFFAOYSA-N
XLogP0.11
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 40669798) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC(=O)NCc1ccco1.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is XFEUDWKJUWYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-15(20-11-16(24)19-10-12-4-3-9-27-12)7-8-22-18(26)14-6-2-1-5-13(14)17(25)21-22/h1-6,9H,7-8,10-11H2,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 370.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 40669798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).