4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C21H29FN2O3 — CID 91917999

IUPAC4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C21H29FN2O3/c22-18-5-3-16(4-6-18)14-23-20(25)24-10-8-21(9-11-24)13-19(7-12-27-21)26-15-17-1-2-17/h3-6,17,19H,1-2,7-15H2,(H,23,25)
InChIKeyPNUWIXDWOOCRRR-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.48
Rot. Bonds5

About 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91917999) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91917999
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C21H29FN2O3/c22-18-5-3-16(4-6-18)14-23-20(25)24-10-8-21(9-11-24)13-19(7-12-27-21)26-15-17-1-2-17/h3-6,17,19H,1-2,7-15H2,(H,23,25)
InChIKeyPNUWIXDWOOCRRR-UHFFFAOYSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91917999) is 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is PNUWIXDWOOCRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-18-5-3-16(4-6-18)14-23-20(25)24-10-8-21(9-11-24)13-19(7-12-27-21)26-15-17-1-2-17/h3-6,17,19H,1-2,7-15H2,(H,23,25).
What are the key properties of 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91917999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).