N'-hydroxy-2-methoxy-N-phenylheptanediamide

C14H20N2O4 — CID 25065710

IUPACN'-hydroxy-2-methoxy-N-phenylheptanediamide
SMILESCOC(CCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-12(9-5-6-10-13(17)16-19)14(18)15-11-7-3-2-4-8-11/h2-4,7-8,12,19H,5-6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyGTYJNCDOILRMGX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.71
Rot. Bonds8

About N'-hydroxy-2-methoxy-N-phenylheptanediamide

N'-hydroxy-2-methoxy-N-phenylheptanediamide (PubChem CID 25065710) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-N-phenylheptanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-N-phenylheptanediamide
PubChem CID25065710
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-hydroxy-2-methoxy-N-phenylheptanediamide
SMILESCOC(CCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-12(9-5-6-10-13(17)16-19)14(18)15-11-7-3-2-4-8-11/h2-4,7-8,12,19H,5-6,9-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyGTYJNCDOILRMGX-UHFFFAOYSA-N
XLogP1.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
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'-hydroxy-2-methoxy-N-phenylheptanediamide?
The IUPAC name of N'-hydroxy-2-methoxy-N-phenylheptanediamide (CID 25065710) is N'-hydroxy-2-methoxy-N-phenylheptanediamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-N-phenylheptanediamide?
The canonical SMILES for N'-hydroxy-2-methoxy-N-phenylheptanediamide is COC(CCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-2-methoxy-N-phenylheptanediamide?
The InChIKey is GTYJNCDOILRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-12(9-5-6-10-13(17)16-19)14(18)15-11-7-3-2-4-8-11/h2-4,7-8,12,19H,5-6,9-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N'-hydroxy-2-methoxy-N-phenylheptanediamide?
N'-hydroxy-2-methoxy-N-phenylheptanediamide has a molecular weight of 280.32 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-N-phenylheptanediamide is sourced from PubChem (CID 25065710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).