4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C20H26FN3O3 — CID 87054508

IUPAC4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESO=C(NC1CC1)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C20H26FN3O3/c21-15-3-1-2-14(10-15)11-22-19(26)24-12-17(18(25)23-16-4-5-16)20(13-24)6-8-27-9-7-20/h1-3,10,16-17H,4-9,11-13H2,(H,22,26)(H,23,25)
InChIKeyUNNPHUSOFZFTJQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.04
Rot. Bonds4

About 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 87054508) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID87054508
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESO=C(NC1CC1)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C20H26FN3O3/c21-15-3-1-2-14(10-15)11-22-19(26)24-12-17(18(25)23-16-4-5-16)20(13-24)6-8-27-9-7-20/h1-3,10,16-17H,4-9,11-13H2,(H,22,26)(H,23,25)
InChIKeyUNNPHUSOFZFTJQ-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 87054508) is 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is O=C(NC1CC1)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is UNNPHUSOFZFTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c21-15-3-1-2-14(10-15)11-22-19(26)24-12-17(18(25)23-16-4-5-16)20(13-24)6-8-27-9-7-20/h1-3,10,16-17H,4-9,11-13H2,(H,22,26)(H,23,25).
What are the key properties of 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-[(3-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 87054508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).