(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

C25H39N5O6 — CID 11071209

IUPAC(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C25H39N5O6/c1-17(2)16-20-19(23(32)30-35)9-7-15-36-25(34)28-13-6-4-10-21(29-22(20)31)24(33)27-14-11-18-8-3-5-12-26-18/h3,5,8,12,17,19-21,35H,4,6-7,9-11,13-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t19-,20+,21-/m0/s1
InChIKeyFZTRNGNCGLUUAW-HBMCJLEFSA-N
MW505.62 g/mol
LogP1.70
Rot. Bonds7

About (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (PubChem CID 11071209) has the molecular formula C25H39N5O6 and a molecular weight of 505.62 g/mol. Its IUPAC name is (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.

Molecular Properties

Compound Name(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
PubChem CID11071209
Molecular FormulaC25H39N5O6
Molecular Weight505.62 g/mol
Exact Mass505.29
IUPAC Name(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C25H39N5O6/c1-17(2)16-20-19(23(32)30-35)9-7-15-36-25(34)28-13-6-4-10-21(29-22(20)31)24(33)27-14-11-18-8-3-5-12-26-18/h3,5,8,12,17,19-21,35H,4,6-7,9-11,13-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t19-,20+,21-/m0/s1
InChIKeyFZTRNGNCGLUUAW-HBMCJLEFSA-N
XLogP1.70
TPSA158.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The IUPAC name of (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (CID 11071209) is (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.
What is the SMILES notation for (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The canonical SMILES for (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO.
What is the InChIKey of (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The InChIKey is FZTRNGNCGLUUAW-HBMCJLEFSA-N. The full InChI is InChI=1S/C25H39N5O6/c1-17(2)16-20-19(23(32)30-35)9-7-15-36-25(34)28-13-6-4-10-21(29-22(20)31)24(33)27-14-11-18-8-3-5-12-26-18/h3,5,8,12,17,19-21,35H,4,6-7,9-11,13-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t19-,20+,21-/m0/s1.
What are the key properties of (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide has a molecular weight of 505.62 g/mol, XLogP of 1.70, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(2-pyridin-2-ylethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is sourced from PubChem (CID 11071209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).