N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide

C18H23N3O6 — CID 121282105

IUPACN-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CC(=O)O2
InChIInChI=1S/C18H23N3O6/c1-2-3-4-5-13(10-21(26)11-22)18(25)20-19-17(24)12-6-7-15-14(8-12)9-16(23)27-15/h6-8,11,13,26H,2-5,9-10H2,1H3,(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyMAJFCTHTBBHJDH-CYBMUJFWSA-N
MW377.40 g/mol
LogP0.95
Rot. Bonds9

About N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide (PubChem CID 121282105) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
PubChem CID121282105
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC NameN-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CC(=O)O2
InChIInChI=1S/C18H23N3O6/c1-2-3-4-5-13(10-21(26)11-22)18(25)20-19-17(24)12-6-7-15-14(8-12)9-16(23)27-15/h6-8,11,13,26H,2-5,9-10H2,1H3,(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyMAJFCTHTBBHJDH-CYBMUJFWSA-N
XLogP0.95
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 10224880
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N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
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CID 10111888
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CID 87264455
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-hydroxy-N-[2-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
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N-(2-acetylhexyl)-N-hydroxyformamide
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N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide (CID 121282105) is N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CC(=O)O2.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide?
The InChIKey is MAJFCTHTBBHJDH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-2-3-4-5-13(10-21(26)11-22)18(25)20-19-17(24)12-6-7-15-14(8-12)9-16(23)27-15/h6-8,11,13,26H,2-5,9-10H2,1H3,(H,19,24)(H,20,25)/t13-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide has a molecular weight of 377.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 121282105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).