N'-hydroxy-N-prop-1-en-2-yloctanediamide

C11H20N2O3 — CID 88928974

IUPACN'-hydroxy-N-prop-1-en-2-yloctanediamide
SMILESC=C(C)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C11H20N2O3/c1-9(2)12-10(14)7-5-3-4-6-8-11(15)13-16/h16H,1,3-8H2,2H3,(H,12,14)(H,13,15)
InChIKeyKIRDUYLTRMRHDN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds8

About N'-hydroxy-N-prop-1-en-2-yloctanediamide

N'-hydroxy-N-prop-1-en-2-yloctanediamide (PubChem CID 88928974) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N'-hydroxy-N-prop-1-en-2-yloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-prop-1-en-2-yloctanediamide
PubChem CID88928974
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN'-hydroxy-N-prop-1-en-2-yloctanediamide
SMILESC=C(C)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C11H20N2O3/c1-9(2)12-10(14)7-5-3-4-6-8-11(15)13-16/h16H,1,3-8H2,2H3,(H,12,14)(H,13,15)
InChIKeyKIRDUYLTRMRHDN-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
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-prop-1-en-2-yloctanediamide?
The IUPAC name of N'-hydroxy-N-prop-1-en-2-yloctanediamide (CID 88928974) is N'-hydroxy-N-prop-1-en-2-yloctanediamide.
What is the SMILES notation for N'-hydroxy-N-prop-1-en-2-yloctanediamide?
The canonical SMILES for N'-hydroxy-N-prop-1-en-2-yloctanediamide is C=C(C)NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-prop-1-en-2-yloctanediamide?
The InChIKey is KIRDUYLTRMRHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(2)12-10(14)7-5-3-4-6-8-11(15)13-16/h16H,1,3-8H2,2H3,(H,12,14)(H,13,15).
What are the key properties of N'-hydroxy-N-prop-1-en-2-yloctanediamide?
N'-hydroxy-N-prop-1-en-2-yloctanediamide has a molecular weight of 228.29 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-prop-1-en-2-yloctanediamide is sourced from PubChem (CID 88928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).