4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide (PubChem CID 9401045) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide.

Molecular Properties

Compound Name	4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide
PubChem CID	9401045
Molecular Formula	C23H31N3O5
Molecular Weight	429.52 g/mol
Exact Mass	429.23
IUPAC Name	4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide
SMILES	CCOc1cc2c(cc1CNC(=O)CCCN1C(=O)NC3(CCCC3)C1=O)O[C@@H](C)C2
InChI	InChI=1S/C23H31N3O5/c1-3-30-18-12-16-11-15(2)31-19(16)13-17(18)14-24-20(27)7-6-10-26-21(28)23(25-22(26)29)8-4-5-9-23/h12-13,15H,3-11,14H2,1-2H3,(H,24,27)(H,25,29)/t15-/m0/s1
InChIKey	YOPOILPYGHWDHQ-HNNXBMFYSA-N
XLogP	2.67
TPSA	96.97 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide?

The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide (CID 9401045) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide.

What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide?

The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide is CCOc1cc2c(cc1CNC(=O)CCCN1C(=O)NC3(CCCC3)C1=O)O[C@@H](C)C2.

What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide?

The InChIKey is YOPOILPYGHWDHQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-3-30-18-12-16-11-15(2)31-19(16)13-17(18)14-24-20(27)7-6-10-26-21(28)23(25-22(26)29)8-4-5-9-23/h12-13,15H,3-11,14H2,1-2H3,(H,24,27)(H,25,29)/t15-/m0/s1.

What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide?

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide has a molecular weight of 429.52 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]butanamide is sourced from PubChem (CID 9401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).