[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone

C22H31NO5 — CID 91907714

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)cc1OC
InChIInChI=1S/C22H31NO5/c1-25-19-6-5-17(13-20(19)26-2)21(24)23-10-8-22(9-11-23)14-18(7-12-28-22)27-15-16-3-4-16/h5-6,13,16,18H,3-4,7-12,14-15H2,1-2H3
InChIKeyCALCRMPPZBVUAX-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.28
Rot. Bonds6

About [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 91907714) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID91907714
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)cc1OC
InChIInChI=1S/C22H31NO5/c1-25-19-6-5-17(13-20(19)26-2)21(24)23-10-8-22(9-11-23)14-18(7-12-28-22)27-15-16-3-4-16/h5-6,13,16,18H,3-4,7-12,14-15H2,1-2H3
InChIKeyCALCRMPPZBVUAX-UHFFFAOYSA-N
XLogP3.28
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone with MolForge

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Related Compounds

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
CID 124819828
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(3-fluoro-4-methylphenyl)methanone
CID 97419936
(3-fluoro-4-methoxyphenyl)-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640540
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4,5-difluoro-2-methylphenyl)methanone
CID 131654505

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone (CID 91907714) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)cc1OC.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is CALCRMPPZBVUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO5/c1-25-19-6-5-17(13-20(19)26-2)21(24)23-10-8-22(9-11-23)14-18(7-12-28-22)27-15-16-3-4-16/h5-6,13,16,18H,3-4,7-12,14-15H2,1-2H3.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 389.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 91907714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).