9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C19H33N3O2 — CID 97112399

IUPAC9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)CN(C)CC)CC2
InChIInChI=1S/C19H33N3O2/c1-5-11-22-15-19(8-7-17(22)23)9-12-21(13-10-19)18(24)16(3)14-20(4)6-2/h5,16H,1,6-15H2,2-4H3/t16-/m0/s1
InChIKeyOWNLPUCYPDMTIJ-INIZCTEOSA-N
MW335.49 g/mol
LogP1.99
Rot. Bonds6

About 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97112399) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97112399
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)CN(C)CC)CC2
InChIInChI=1S/C19H33N3O2/c1-5-11-22-15-19(8-7-17(22)23)9-12-21(13-10-19)18(24)16(3)14-20(4)6-2/h5,16H,1,6-15H2,2-4H3/t16-/m0/s1
InChIKeyOWNLPUCYPDMTIJ-INIZCTEOSA-N
XLogP1.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97121210
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
9-[(3R)-4-amino-3-hydroxybutanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113768
9-butan-2-ylsulfonyl-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72890711
9-(5-acetylthiophene-3-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918054
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
2-(3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-phenylethyl)acetamide
CID 70734421
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
N,N-diethyl-3-oxo-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72918249
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97112399) is 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)CN(C)CC)CC2.
What is the InChIKey of 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OWNLPUCYPDMTIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-11-22-15-19(8-7-17(22)23)9-12-21(13-10-19)18(24)16(3)14-20(4)6-2/h5,16H,1,6-15H2,2-4H3/t16-/m0/s1.
What are the key properties of 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 335.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97112399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).