N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide

C17H25N3O3 — CID 86676519

IUPACN-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide
SMILESNC1CC1c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H25N3O3/c18-15-11-14(15)12-7-9-13(10-8-12)19-16(21)5-3-1-2-4-6-17(22)20-23/h7-10,14-15,23H,1-6,11,18H2,(H,19,21)(H,20,22)
InChIKeyRHUFUBPIUVMUHP-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.29
Rot. Bonds9

About N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide

N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide (PubChem CID 86676519) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide
PubChem CID86676519
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide
SMILESNC1CC1c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H25N3O3/c18-15-11-14(15)12-7-9-13(10-8-12)19-16(21)5-3-1-2-4-6-17(22)20-23/h7-10,14-15,23H,1-6,11,18H2,(H,19,21)(H,20,22)
InChIKeyRHUFUBPIUVMUHP-UHFFFAOYSA-N
XLogP2.29
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide (CID 86676519) is N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide is NC1CC1c1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide?
The InChIKey is RHUFUBPIUVMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-15-11-14(15)12-7-9-13(10-8-12)19-16(21)5-3-1-2-4-6-17(22)20-23/h7-10,14-15,23H,1-6,11,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide?
N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide has a molecular weight of 319.41 g/mol, XLogP of 2.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminocyclopropyl)phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 86676519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).