4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide

C19H23N3O3 — CID 166413839

IUPAC4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NC2CNC(=O)CC23CCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-3-17(24)22(2)14-7-5-13(6-8-14)18(25)21-15-12-20-16(23)11-19(15)9-4-10-19/h3,5-8,15H,1,4,9-12H2,2H3,(H,20,23)(H,21,25)
InChIKeyORSOIAQIIXQTRR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.62
Rot. Bonds4

About 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide

4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide (PubChem CID 166413839) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide
PubChem CID166413839
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NC2CNC(=O)CC23CCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-3-17(24)22(2)14-7-5-13(6-8-14)18(25)21-15-12-20-16(23)11-19(15)9-4-10-19/h3,5-8,15H,1,4,9-12H2,2H3,(H,20,23)(H,21,25)
InChIKeyORSOIAQIIXQTRR-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-(2-methyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 167870787
4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
4-[methyl(prop-2-enoyl)amino]-N-[3-(oxan-2-yl)prop-2-ynyl]benzamide
CID 167804608
tert-butyl N-[5-[4-[methyl(prop-2-enoyl)amino]benzoyl]-5-azaspiro[3.4]octan-7-yl]carbamate
CID 166414255
N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413728
4-[methyl(prop-2-enoyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 166413850
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413998
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414099
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414086
N-methyl-N-[4-(spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]-1-carbonyl)phenyl]prop-2-enamide
CID 166416080
N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167815880
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414212

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide?
The IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide (CID 166413839) is 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide.
What is the SMILES notation for 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide?
The canonical SMILES for 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide is C=CC(=O)N(C)c1ccc(C(=O)NC2CNC(=O)CC23CCC3)cc1.
What is the InChIKey of 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide?
The InChIKey is ORSOIAQIIXQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-17(24)22(2)14-7-5-13(6-8-14)18(25)21-15-12-20-16(23)11-19(15)9-4-10-19/h3,5-8,15H,1,4,9-12H2,2H3,(H,20,23)(H,21,25).
What are the key properties of 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide?
4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enoyl)amino]-N-(6-oxo-7-azaspiro[3.5]nonan-9-yl)benzamide is sourced from PubChem (CID 166413839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).