9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C26H28F3N3O4 — CID 71679838

IUPAC9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1
InChIInChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)
InChIKeyPDXOHOMNGKKBMN-UHFFFAOYSA-N
MW503.52 g/mol
LogP4.54
Rot. Bonds4

About 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 71679838) has the molecular formula C26H28F3N3O4 and a molecular weight of 503.52 g/mol. Its IUPAC name is 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID71679838
Molecular FormulaC26H28F3N3O4
Molecular Weight503.52 g/mol
Exact Mass503.20
IUPAC Name9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1
InChIInChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)
InChIKeyPDXOHOMNGKKBMN-UHFFFAOYSA-N
XLogP4.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 71679838) is 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1.
What is the InChIKey of 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is PDXOHOMNGKKBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34).
What are the key properties of 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 503.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylcyclopropanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 71679838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).