4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C22H32N2O3 — CID 91918008

IUPAC4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C22H32N2O3/c25-21(23-12-8-18-4-2-1-3-5-18)24-13-10-22(11-14-24)16-20(9-15-27-22)26-17-19-6-7-19/h1-5,19-20H,6-17H2,(H,23,25)
InChIKeyQYPANTQJQPNSMS-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.38
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91918008) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91918008
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C22H32N2O3/c25-21(23-12-8-18-4-2-1-3-5-18)24-13-10-22(11-14-24)16-20(9-15-27-22)26-17-19-6-7-19/h1-5,19-20H,6-17H2,(H,23,25)
InChIKeyQYPANTQJQPNSMS-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
4-methoxy-N-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907692
US9670210, Example 113 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(4-methoxypiperidin-1-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302789
N-(4-fluorobenzyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907686
4-{1-Cyclopropyl[(propan-2-YL)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909286
4-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917999
N-[(4-Fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91918125
4-[cyclopropyl(4-fluorobenzyl)amino]-N-(3-ethoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919149
4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-N-(propan-2-YL)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919151
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919186
4-[cyclopropyl(4-fluorobenzyl)amino]-N-isopentyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919187
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919188

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91918008) is 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCCc1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is QYPANTQJQPNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21(23-12-8-18-4-2-1-3-5-18)24-13-10-22(11-14-24)16-20(9-15-27-22)26-17-19-6-7-19/h1-5,19-20H,6-17H2,(H,23,25).
What are the key properties of 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91918008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).