N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

C26H30FN5O6 — CID 77291413

IUPACN-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESCC1CN2c3c(cc4c(C(=O)NCC5CCCCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1
InChIInChI=1S/C26H30FN5O6/c1-12-11-32-19-15(9-26(21(32)13(2)37-12)23(34)29-25(36)30-24(26)35)8-16-18(31-38-20(16)17(19)27)22(33)28-10-14-6-4-3-5-7-14/h8,12-14,21H,3-7,9-11H2,1-2H3,(H,28,33)(H2,29,30,34,35,36)
InChIKeyXKZVGNGZFOYOQU-UHFFFAOYSA-N
MW527.55 g/mol
LogP2.17
Rot. Bonds3

About N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (PubChem CID 77291413) has the molecular formula C26H30FN5O6 and a molecular weight of 527.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
PubChem CID77291413
Molecular FormulaC26H30FN5O6
Molecular Weight527.55 g/mol
Exact Mass527.22
IUPAC NameN-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESCC1CN2c3c(cc4c(C(=O)NCC5CCCCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1
InChIInChI=1S/C26H30FN5O6/c1-12-11-32-19-15(9-26(21(32)13(2)37-12)23(34)29-25(36)30-24(26)35)8-16-18(31-38-20(16)17(19)27)22(33)28-10-14-6-4-3-5-7-14/h8,12-14,21H,3-7,9-11H2,1-2H3,(H,28,33)(H2,29,30,34,35,36)
InChIKeyXKZVGNGZFOYOQU-UHFFFAOYSA-N
XLogP2.17
TPSA142.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (CID 77291413) is N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is CC1CN2c3c(cc4c(C(=O)NCC5CCCCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)C2C(C)O1.
What is the InChIKey of N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The InChIKey is XKZVGNGZFOYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O6/c1-12-11-32-19-15(9-26(21(32)13(2)37-12)23(34)29-25(36)30-24(26)35)8-16-18(31-38-20(16)17(19)27)22(33)28-10-14-6-4-3-5-7-14/h8,12-14,21H,3-7,9-11H2,1-2H3,(H,28,33)(H2,29,30,34,35,36).
What are the key properties of N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide has a molecular weight of 527.55 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is sourced from PubChem (CID 77291413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).