10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide

C19H24N2O4 — CID 122439211

IUPAC10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CN(C(=O)C1CCCCC1)C1CC(C1)O2
InChIInChI=1S/C19H24N2O4/c22-18(20-24)13-6-7-17-14(8-13)11-21(15-9-16(10-15)25-17)19(23)12-4-2-1-3-5-12/h6-8,12,15-16,24H,1-5,9-11H2,(H,20,22)
InChIKeyUITUDXZJFZUQTC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.64
Rot. Bonds2

About 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide

10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide (PubChem CID 122439211) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide.

Molecular Properties

Compound Name10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide
PubChem CID122439211
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CN(C(=O)C1CCCCC1)C1CC(C1)O2
InChIInChI=1S/C19H24N2O4/c22-18(20-24)13-6-7-17-14(8-13)11-21(15-9-16(10-15)25-17)19(23)12-4-2-1-3-5-12/h6-8,12,15-16,24H,1-5,9-11H2,(H,20,22)
InChIKeyUITUDXZJFZUQTC-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-(cyclopentanecarbonyl)-N-hydroxy-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440247
N-hydroxy-4-[(3S)-oxane-3-carbonyl]-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 140732959
2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide
CID 58147382
2-[4-(aminomethyl)cyclohexanecarbonyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 154080168
4-(1-formylpiperidine-4-carbonyl)-N-hydroxy-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440085
(3S)-N-hydroxy-3-methyl-4-[(3S)-oxolane-3-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440510
4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide
CID 122440253
2-[(1S,4R)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 44538381
2-[(4S)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 87368073
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
4-(4,4-difluorocyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440115
(3S)-N-hydroxy-4-[(3R)-oxolane-3-carbonyl]-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;sulfane
CID 159137681

Frequently Asked Questions

What is the IUPAC name of 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide?
The IUPAC name of 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide (CID 122439211) is 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide.
What is the SMILES notation for 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide?
The canonical SMILES for 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide is O=C(NO)c1ccc2c(c1)CN(C(=O)C1CCCCC1)C1CC(C1)O2.
What is the InChIKey of 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide?
The InChIKey is UITUDXZJFZUQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18(20-24)13-6-7-17-14(8-13)11-21(15-9-16(10-15)25-17)19(23)12-4-2-1-3-5-12/h6-8,12,15-16,24H,1-5,9-11H2,(H,20,22).
What are the key properties of 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide?
10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide is sourced from PubChem (CID 122439211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).