4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide

C19H25N3O4 — CID 9262494

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-26-15-8-3-2-7-14(15)13-20-16(23)9-6-12-22-17(24)19(21-18(22)25)10-4-5-11-19/h2-3,7-8H,4-6,9-13H2,1H3,(H,20,23)(H,21,25)
InChIKeyROWQEUIPRKDVBJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.96
Rot. Bonds7

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 9262494) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID9262494
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-26-15-8-3-2-7-14(15)13-20-16(23)9-6-12-22-17(24)19(21-18(22)25)10-4-5-11-19/h2-3,7-8H,4-6,9-13H2,1H3,(H,20,23)(H,21,25)
InChIKeyROWQEUIPRKDVBJ-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide (CID 9262494) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide is COc1ccccc1CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is ROWQEUIPRKDVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-26-15-8-3-2-7-14(15)13-20-16(23)9-6-12-22-17(24)19(21-18(22)25)10-4-5-11-19/h2-3,7-8H,4-6,9-13H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 359.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 9262494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).