3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide

C19H23N3O4 — CID 18092490

IUPAC3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C19H23N3O4/c1-20-17(25)13-6-5-7-14(10-13)21-15(23)12-22-16(24)11-19(18(22)26)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyRLEICBNTUUFGBT-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.69
Rot. Bonds4

About 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide

3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 18092490) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide
PubChem CID18092490
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C19H23N3O4/c1-20-17(25)13-6-5-7-14(10-13)21-15(23)12-22-16(24)11-19(18(22)26)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyRLEICBNTUUFGBT-UHFFFAOYSA-N
XLogP1.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 17392528
2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41208643
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[3-(2-methyltetrazol-5-yl)phenyl]propanamide
CID 71706017
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24582125
N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
CID 4500804
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide (CID 18092490) is 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1.
What is the InChIKey of 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is RLEICBNTUUFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-20-17(25)13-6-5-7-14(10-13)21-15(23)12-22-16(24)11-19(18(22)26)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide?
3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18092490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).