1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one

C23H33NO3 — CID 91918012

IUPAC1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C23H33NO3/c25-22(8-4-7-19-5-2-1-3-6-19)24-14-12-23(13-15-24)17-21(11-16-27-23)26-18-20-9-10-20/h1-3,5-6,20-21H,4,7-18H2
InChIKeyKZOFCHWZDUNXDK-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.98
Rot. Bonds7

About 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one

1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one (PubChem CID 91918012) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one
PubChem CID91918012
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C23H33NO3/c25-22(8-4-7-19-5-2-1-3-6-19)24-14-12-23(13-15-24)17-21(11-16-27-23)26-18-20-9-10-20/h1-3,5-6,20-21H,4,7-18H2
InChIKeyKZOFCHWZDUNXDK-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one (CID 91918012) is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one?
The InChIKey is KZOFCHWZDUNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c25-22(8-4-7-19-5-2-1-3-6-19)24-14-12-23(13-15-24)17-21(11-16-27-23)26-18-20-9-10-20/h1-3,5-6,20-21H,4,7-18H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one?
1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one has a molecular weight of 371.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 91918012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).