N-(2-ethylphenyl)-N'-hydroxyhexanediamide

C14H20N2O3 — CID 46884058

IUPACN-(2-ethylphenyl)-N'-hydroxyhexanediamide
SMILESCCc1ccccc1NC(=O)CCCCC(=O)NO
InChIInChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyVNWNWSQVDWAXTL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.25
Rot. Bonds7

About N-(2-ethylphenyl)-N'-hydroxyhexanediamide

N-(2-ethylphenyl)-N'-hydroxyhexanediamide (PubChem CID 46884058) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-hydroxyhexanediamide
PubChem CID46884058
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-ethylphenyl)-N'-hydroxyhexanediamide
SMILESCCc1ccccc1NC(=O)CCCCC(=O)NO
InChIInChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyVNWNWSQVDWAXTL-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.25
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-(2-ethylphenyl)-N'-hydroxyhexanediamide?
The IUPAC name of N-(2-ethylphenyl)-N'-hydroxyhexanediamide (CID 46884058) is N-(2-ethylphenyl)-N'-hydroxyhexanediamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-hydroxyhexanediamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-hydroxyhexanediamide is CCc1ccccc1NC(=O)CCCCC(=O)NO.
What is the InChIKey of N-(2-ethylphenyl)-N'-hydroxyhexanediamide?
The InChIKey is VNWNWSQVDWAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-ethylphenyl)-N'-hydroxyhexanediamide?
N-(2-ethylphenyl)-N'-hydroxyhexanediamide has a molecular weight of 264.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-hydroxyhexanediamide is sourced from PubChem (CID 46884058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).