N-hydroxy-7-(2-methylphenoxy)heptanamide

C14H21NO3 — CID 39354517

IUPACN-hydroxy-7-(2-methylphenoxy)heptanamide
SMILESCc1ccccc1OCCCCCCC(=O)NO
InChIInChI=1S/C14H21NO3/c1-12-8-5-6-9-13(12)18-11-7-3-2-4-10-14(16)15-17/h5-6,8-9,17H,2-4,7,10-11H2,1H3,(H,15,16)
InChIKeyIWZKKMXUUINVDW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.83
Rot. Bonds8

About N-hydroxy-7-(2-methylphenoxy)heptanamide

N-hydroxy-7-(2-methylphenoxy)heptanamide (PubChem CID 39354517) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-hydroxy-7-(2-methylphenoxy)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(2-methylphenoxy)heptanamide
PubChem CID39354517
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-hydroxy-7-(2-methylphenoxy)heptanamide
SMILESCc1ccccc1OCCCCCCC(=O)NO
InChIInChI=1S/C14H21NO3/c1-12-8-5-6-9-13(12)18-11-7-3-2-4-10-14(16)15-17/h5-6,8-9,17H,2-4,7,10-11H2,1H3,(H,15,16)
InChIKeyIWZKKMXUUINVDW-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.83
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-7-(2-methylphenoxy)heptanamide?
The IUPAC name of N-hydroxy-7-(2-methylphenoxy)heptanamide (CID 39354517) is N-hydroxy-7-(2-methylphenoxy)heptanamide.
What is the SMILES notation for N-hydroxy-7-(2-methylphenoxy)heptanamide?
The canonical SMILES for N-hydroxy-7-(2-methylphenoxy)heptanamide is Cc1ccccc1OCCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-7-(2-methylphenoxy)heptanamide?
The InChIKey is IWZKKMXUUINVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-12-8-5-6-9-13(12)18-11-7-3-2-4-10-14(16)15-17/h5-6,8-9,17H,2-4,7,10-11H2,1H3,(H,15,16).
What are the key properties of N-hydroxy-7-(2-methylphenoxy)heptanamide?
N-hydroxy-7-(2-methylphenoxy)heptanamide has a molecular weight of 251.33 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(2-methylphenoxy)heptanamide is sourced from PubChem (CID 39354517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).