2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

C22H32N2O2 — CID 131659035

IUPAC2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c25-21(16-19-6-7-19)23-20-17-26-15-11-22(20)9-13-24(14-10-22)12-8-18-4-2-1-3-5-18/h1-5,19-20H,6-17H2,(H,23,25)
InChIKeyWIEKPTDTDWPABP-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.02
Rot. Bonds6

About 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (PubChem CID 131659035) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
PubChem CID131659035
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c25-21(16-19-6-7-19)23-20-17-26-15-11-22(20)9-13-24(14-10-22)12-8-18-4-2-1-3-5-18/h1-5,19-20H,6-17H2,(H,23,25)
InChIKeyWIEKPTDTDWPABP-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (CID 131659035) is 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is O=C(CC1CC1)NC1COCCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The InChIKey is WIEKPTDTDWPABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(16-19-6-7-19)23-20-17-26-15-11-22(20)9-13-24(14-10-22)12-8-18-4-2-1-3-5-18/h1-5,19-20H,6-17H2,(H,23,25).
What are the key properties of 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is sourced from PubChem (CID 131659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).