2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C20H22N4O4 — CID 30591769

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 30591769) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
• PubChem CID: 30591769
• Molecular Formula: C20H22N4O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.16
• IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
• SMILES: O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCC1
• InChI: InChI=1S/C20H22N4O4/c25-18(13-24-20(27)15-7-2-1-6-14(15)19(26)22-24)21-12-16(17-8-5-11-28-17)23-9-3-4-10-23/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-/m0/s1
• InChIKey: JGOOGFNBLIRLDD-INIZCTEOSA-N
• XLogP: 1.24
• TPSA: 100.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?

The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 30591769) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?

The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCC1.

What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?

The InChIKey is JGOOGFNBLIRLDD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(13-24-20(27)15-7-2-1-6-14(15)19(26)22-24)21-12-16(17-8-5-11-28-17)23-9-3-4-10-23/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-/m0/s1.

What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 30591769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).