N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide

C18H26N6O4 — CID 10430485

IUPACN-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide
SMILESCCCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cc(OC)ccc2n1
InChIInChI=1S/C18H26N6O4/c1-3-4-5-6-7-13(11-24(27)12-25)17(26)21-23-18-19-15-9-8-14(28-2)10-16(15)20-22-18/h8-10,12-13,27H,3-7,11H2,1-2H3,(H,21,26)(H,19,22,23)/t13-/m1/s1
InChIKeyFHELWJZRCJGXRD-CYBMUJFWSA-N
MW390.44 g/mol
LogP1.91
Rot. Bonds12

About N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide

N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide (PubChem CID 10430485) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide
PubChem CID10430485
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide
SMILESCCCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cc(OC)ccc2n1
InChIInChI=1S/C18H26N6O4/c1-3-4-5-6-7-13(11-24(27)12-25)17(26)21-23-18-19-15-9-8-14(28-2)10-16(15)20-22-18/h8-10,12-13,27H,3-7,11H2,1-2H3,(H,21,26)(H,19,22,23)/t13-/m1/s1
InChIKeyFHELWJZRCJGXRD-CYBMUJFWSA-N
XLogP1.91
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide (CID 10430485) is N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide is CCCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cc(OC)ccc2n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide?
The InChIKey is FHELWJZRCJGXRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-3-4-5-6-7-13(11-24(27)12-25)17(26)21-23-18-19-15-9-8-14(28-2)10-16(15)20-22-18/h8-10,12-13,27H,3-7,11H2,1-2H3,(H,21,26)(H,19,22,23)/t13-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide?
N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide has a molecular weight of 390.44 g/mol, XLogP of 1.91, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octyl]formamide is sourced from PubChem (CID 10430485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).