4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C22H35N3O2 — CID 91908258

IUPAC4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2
InChIInChI=1S/C22H35N3O2/c1-18(2)16-23-21(26)25-12-10-22(11-13-25)15-20(9-14-27-22)24(3)17-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,23,26)
InChIKeyXBBSNUZKNRIWDB-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.50
Rot. Bonds5

About 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91908258) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91908258
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2
InChIInChI=1S/C22H35N3O2/c1-18(2)16-23-21(26)25-12-10-22(11-13-25)15-20(9-14-27-22)24(3)17-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,23,26)
InChIKeyXBBSNUZKNRIWDB-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
Ethyl 3-({4-[(4-methylpiperidin-1-YL)methyl]piperidine-1-carbonyl}amino)-3-phenylpropanoate
CID 16033520
1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
CID 70686704
N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-ethylbutan-1-one
CID 91919181
4-methoxy-N-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907692
US20240010639, Example 16
CID 171034316
(3R*,4R*)-N-(2-fluorobenzyl)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinecarboxamide
CID 72846157
N-(4-fluorobenzyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907686
4-[Benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908259
4-(N-Cyclopropylacetamido)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909245
4-{1-Cyclopropyl[(propan-2-YL)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909286

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91908258) is 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CC(C)CNC(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is XBBSNUZKNRIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18(2)16-23-21(26)25-12-10-22(11-13-25)15-20(9-14-27-22)24(3)17-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,23,26).
What are the key properties of 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91908258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).