(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone

C20H27NO3 — CID 91917979

IUPAC(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone
SMILESCOC1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1
InChIInChI=1S/C20H27NO3/c1-23-17-7-14-24-19(15-17)10-12-21(13-11-19)18(22)20(8-9-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyYDPWNADCIDRRFC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.90
Rot. Bonds3

About (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone

(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 91917979) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone
PubChem CID91917979
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone
SMILESCOC1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1
InChIInChI=1S/C20H27NO3/c1-23-17-7-14-24-19(15-17)10-12-21(13-11-19)18(22)20(8-9-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyYDPWNADCIDRRFC-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone (CID 91917979) is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone is COC1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1.
What is the InChIKey of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is YDPWNADCIDRRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-23-17-7-14-24-19(15-17)10-12-21(13-11-19)18(22)20(8-9-20)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone?
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91917979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).