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

C24H37N5O6 — CID 11005498

IUPAC(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)15-18-17(22(31)28-34)9-8-14-35-24(33)29(3)13-7-5-10-19(26-21(18)30)23(32)27-20-11-4-6-12-25-20/h4,6,11-12,16-19,34H,5,7-10,13-15H2,1-3H3,(H,26,30)(H,28,31)(H,25,27,32)/t17-,18+,19-/m0/s1
InChIKeyKRJFYQJAPWRMQJ-OTWHNJEPSA-N
MW491.59 g/mol
LogP2.32
Rot. Bonds5

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

(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (PubChem CID 11005498) has the molecular formula C24H37N5O6 and a molecular weight of 491.59 g/mol. Its IUPAC name is (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.

Molecular Properties

Compound Name(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
PubChem CID11005498
Molecular FormulaC24H37N5O6
Molecular Weight491.59 g/mol
Exact Mass491.27
IUPAC Name(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)15-18-17(22(31)28-34)9-8-14-35-24(33)29(3)13-7-5-10-19(26-21(18)30)23(32)27-20-11-4-6-12-25-20/h4,6,11-12,16-19,34H,5,7-10,13-15H2,1-3H3,(H,26,30)(H,28,31)(H,25,27,32)/t17-,18+,19-/m0/s1
InChIKeyKRJFYQJAPWRMQJ-OTWHNJEPSA-N
XLogP2.32
TPSA149.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.32
H-Bond Donors ≤ 54
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-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The IUPAC name of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (CID 11005498) is (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.
What is the SMILES notation for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The canonical SMILES for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO.
What is the InChIKey of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The InChIKey is KRJFYQJAPWRMQJ-OTWHNJEPSA-N. The full InChI is InChI=1S/C24H37N5O6/c1-16(2)15-18-17(22(31)28-34)9-8-14-35-24(33)29(3)13-7-5-10-19(26-21(18)30)23(32)27-20-11-4-6-12-25-20/h4,6,11-12,16-19,34H,5,7-10,13-15H2,1-3H3,(H,26,30)(H,28,31)(H,25,27,32)/t17-,18+,19-/m0/s1.
What are the key properties of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-2-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is sourced from PubChem (CID 11005498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).