N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide

C19H30N2O3 — CID 143322076

IUPACN-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide
SMILESCCCc1ccccc1CN(C)C(=O)CCCCCCC(=O)NO
InChIInChI=1S/C19H30N2O3/c1-3-10-16-11-8-9-12-17(16)15-21(2)19(23)14-7-5-4-6-13-18(22)20-24/h8-9,11-12,24H,3-7,10,13-15H2,1-2H3,(H,20,22)
InChIKeyFRAADRCFJLQYBD-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.44
Rot. Bonds11

About N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide

N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide (PubChem CID 143322076) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide
PubChem CID143322076
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide
SMILESCCCc1ccccc1CN(C)C(=O)CCCCCCC(=O)NO
InChIInChI=1S/C19H30N2O3/c1-3-10-16-11-8-9-12-17(16)15-21(2)19(23)14-7-5-4-6-13-18(22)20-24/h8-9,11-12,24H,3-7,10,13-15H2,1-2H3,(H,20,22)
InChIKeyFRAADRCFJLQYBD-UHFFFAOYSA-N
XLogP3.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-methyl-N'-[(2-propylphenyl)methyl]octanediamide?
The IUPAC name of N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide (CID 143322076) is N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide is CCCc1ccccc1CN(C)C(=O)CCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide?
The InChIKey is FRAADRCFJLQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-10-16-11-8-9-12-17(16)15-21(2)19(23)14-7-5-4-6-13-18(22)20-24/h8-9,11-12,24H,3-7,10,13-15H2,1-2H3,(H,20,22).
What are the key properties of N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide?
N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide has a molecular weight of 334.46 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide is sourced from PubChem (CID 143322076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).