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

C24H36FN3O3 — CID 91919186

IUPAC4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C24H36FN3O3/c1-30-15-2-12-26-23(29)27-13-10-24(11-14-27)17-22(9-16-31-24)28(21-7-8-21)18-19-3-5-20(25)6-4-19/h3-6,21-22H,2,7-18H2,1H3,(H,26,29)
InChIKeyLPVASOSGIKHBGZ-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.55
Rot. Bonds8

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

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919186) has the molecular formula C24H36FN3O3 and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919186
Molecular FormulaC24H36FN3O3
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C24H36FN3O3/c1-30-15-2-12-26-23(29)27-13-10-24(11-14-27)17-22(9-16-31-24)28(21-7-8-21)18-19-3-5-20(25)6-4-19/h3-6,21-22H,2,7-18H2,1H3,(H,26,29)
InChIKeyLPVASOSGIKHBGZ-UHFFFAOYSA-N
XLogP3.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919188
N-tert-butyl-4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919180
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919151
1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
CID 91919164
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methylpyrazin-2-yl)methanone
CID 91919170
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 91919144
[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-2-yl)methanone
CID 91919125
1-cyclopropyl-3-ethyl-1-[9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 91909261
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
1-[3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-methoxyethoxy)ethanone
CID 110138665
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919186) is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COCCCNC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is LPVASOSGIKHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O3/c1-30-15-2-12-26-23(29)27-13-10-24(11-14-27)17-22(9-16-31-24)28(21-7-8-21)18-19-3-5-20(25)6-4-19/h3-6,21-22H,2,7-18H2,1H3,(H,26,29).
What are the key properties of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).