12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

C27H36F3N5O8 — CID 90959660

IUPAC12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESO=C1NCCCCC(C(=O)NCC(=O)N2CCOCC2)NC(=O)C(c2ccccc2C(F)(F)F)C(C(=O)NO)CCCO1
InChIInChI=1S/C27H36F3N5O8/c28-27(29,30)19-8-2-1-6-17(19)22-18(23(37)34-41)7-5-13-43-26(40)31-10-4-3-9-20(33-25(22)39)24(38)32-16-21(36)35-11-14-42-15-12-35/h1-2,6,8,18,20,22,41H,3-5,7,9-16H2,(H,31,40)(H,32,38)(H,33,39)(H,34,37)
InChIKeyLGYJNXIGNVALCS-UHFFFAOYSA-N
MW615.61 g/mol
LogP1.06
Rot. Bonds5

About 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (PubChem CID 90959660) has the molecular formula C27H36F3N5O8 and a molecular weight of 615.61 g/mol. Its IUPAC name is 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.

Molecular Properties

Compound Name12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
PubChem CID90959660
Molecular FormulaC27H36F3N5O8
Molecular Weight615.61 g/mol
Exact Mass615.25
IUPAC Name12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESO=C1NCCCCC(C(=O)NCC(=O)N2CCOCC2)NC(=O)C(c2ccccc2C(F)(F)F)C(C(=O)NO)CCCO1
InChIInChI=1S/C27H36F3N5O8/c28-27(29,30)19-8-2-1-6-17(19)22-18(23(37)34-41)7-5-13-43-26(40)31-10-4-3-9-20(33-25(22)39)24(38)32-16-21(36)35-11-14-42-15-12-35/h1-2,6,8,18,20,22,41H,3-5,7,9-16H2,(H,31,40)(H,32,38)(H,33,39)(H,34,37)
InChIKeyLGYJNXIGNVALCS-UHFFFAOYSA-N
XLogP1.06
TPSA175.40 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.61
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide 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 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The IUPAC name of 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (CID 90959660) is 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.
What is the SMILES notation for 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The canonical SMILES for 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is O=C1NCCCCC(C(=O)NCC(=O)N2CCOCC2)NC(=O)C(c2ccccc2C(F)(F)F)C(C(=O)NO)CCCO1.
What is the InChIKey of 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The InChIKey is LGYJNXIGNVALCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N5O8/c28-27(29,30)19-8-2-1-6-17(19)22-18(23(37)34-41)7-5-13-43-26(40)31-10-4-3-9-20(33-25(22)39)24(38)32-16-21(36)35-11-14-42-15-12-35/h1-2,6,8,18,20,22,41H,3-5,7,9-16H2,(H,31,40)(H,32,38)(H,33,39)(H,34,37).
What are the key properties of 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide has a molecular weight of 615.61 g/mol, XLogP of 1.06, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N-hydroxy-8-N-(2-morpholin-4-yl-2-oxoethyl)-2,10-dioxo-11-[2-(trifluoromethyl)phenyl]-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is sourced from PubChem (CID 90959660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).