4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C25H38FN3O2 — CID 91919187

IUPAC4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C25H38FN3O2/c1-19(2)9-13-27-24(30)28-14-11-25(12-15-28)17-23(10-16-31-25)29(22-7-8-22)18-20-3-5-21(26)6-4-20/h3-6,19,22-23H,7-18H2,1-2H3,(H,27,30)
InChIKeyAFXNQXFZCJJPCB-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.56
Rot. Bonds7

About 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919187) has the molecular formula C25H38FN3O2 and a molecular weight of 431.60 g/mol. Its IUPAC name is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919187
Molecular FormulaC25H38FN3O2
Molecular Weight431.60 g/mol
Exact Mass431.29
IUPAC Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C25H38FN3O2/c1-19(2)9-13-27-24(30)28-14-11-25(12-15-28)17-23(10-16-31-25)29(22-7-8-22)18-20-3-5-21(26)6-4-20/h3-6,19,22-23H,7-18H2,1-2H3,(H,27,30)
InChIKeyAFXNQXFZCJJPCB-UHFFFAOYSA-N
XLogP4.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
CID 70686704
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185
4-[1-Cyclopropyl(ethylcarbamoyl)amino]-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909254
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
1-[1-(3,4-Difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833
(3R*,4R*)-N-(2-fluorobenzyl)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinecarboxamide
CID 72846157
3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide
CID 84590244
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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919187) is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CC(C)CCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AFXNQXFZCJJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38FN3O2/c1-19(2)9-13-27-24(30)28-14-11-25(12-15-28)17-23(10-16-31-25)29(22-7-8-22)18-20-3-5-21(26)6-4-20/h3-6,19,22-23H,7-18H2,1-2H3,(H,27,30).
What are the key properties of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).