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

C24H37N5O6 — CID 11730692

IUPAC(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)13-19-18(22(31)29-34)8-6-12-35-24(33)26-11-4-3-9-20(28-21(19)30)23(32)27-15-17-7-5-10-25-14-17/h5,7,10,14,16,18-20,34H,3-4,6,8-9,11-13,15H2,1-2H3,(H,26,33)(H,27,32)(H,28,30)(H,29,31)/t18-,19+,20-/m0/s1
InChIKeyRCOCLHFWXFEYJP-ZCNNSNEGSA-N
MW491.59 g/mol
LogP1.66
Rot. Bonds6

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

(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (PubChem CID 11730692) has the molecular formula C24H37N5O6 and a molecular weight of 491.59 g/mol. Its IUPAC name is (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
PubChem CID11730692
Molecular FormulaC24H37N5O6
Molecular Weight491.59 g/mol
Exact Mass491.27
IUPAC Name(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)13-19-18(22(31)29-34)8-6-12-35-24(33)26-11-4-3-9-20(28-21(19)30)23(32)27-15-17-7-5-10-25-14-17/h5,7,10,14,16,18-20,34H,3-4,6,8-9,11-13,15H2,1-2H3,(H,26,33)(H,27,32)(H,28,30)(H,29,31)/t18-,19+,20-/m0/s1
InChIKeyRCOCLHFWXFEYJP-ZCNNSNEGSA-N
XLogP1.66
TPSA158.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 51.66
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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (CID 11730692) is (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)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-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The InChIKey is RCOCLHFWXFEYJP-ZCNNSNEGSA-N. The full InChI is InChI=1S/C24H37N5O6/c1-16(2)13-19-18(22(31)29-34)8-6-12-35-24(33)26-11-4-3-9-20(28-21(19)30)23(32)27-15-17-7-5-10-25-14-17/h5,7,10,14,16,18-20,34H,3-4,6,8-9,11-13,15H2,1-2H3,(H,26,33)(H,27,32)(H,28,30)(H,29,31)/t18-,19+,20-/m0/s1.
What are the key properties of (8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
(8S,11R,12S)-12-N-hydroxy-11-(2-methylpropyl)-2,10-dioxo-8-N-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide has a molecular weight of 491.59 g/mol, XLogP of 1.66, 6 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-(pyridin-3-ylmethyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is sourced from PubChem (CID 11730692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).