2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O2 — CID 72936317

IUPAC2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C22H32N2O2/c1-2-26-15-14-23-12-10-22(11-13-23)16-20(18-6-4-3-5-7-18)21(25)24(17-22)19-8-9-19/h3-7,19-20H,2,8-17H2,1H3
InChIKeyHGMNESREVQWVSP-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.28
Rot. Bonds6

About 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72936317) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72936317
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C22H32N2O2/c1-2-26-15-14-23-12-10-22(11-13-23)16-20(18-6-4-3-5-7-18)21(25)24(17-22)19-8-9-19/h3-7,19-20H,2,8-17H2,1H3
InChIKeyHGMNESREVQWVSP-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72936317) is 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CCOCCN1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HGMNESREVQWVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-2-26-15-14-23-12-10-22(11-13-23)16-20(18-6-4-3-5-7-18)21(25)24(17-22)19-8-9-19/h3-7,19-20H,2,8-17H2,1H3.
What are the key properties of 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).