N-hydroxy-2-tetradecoxybenzamide

C21H35NO3 — CID 18962633

IUPACN-hydroxy-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccccc1C(=O)NO
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)21(23)22-24/h13-14,16-17,24H,2-12,15,18H2,1H3,(H,22,23)
InChIKeyVHXDKOMNRUUMLR-UHFFFAOYSA-N
MW349.51 g/mol
LogP5.89
Rot. Bonds15

About N-hydroxy-2-tetradecoxybenzamide

N-hydroxy-2-tetradecoxybenzamide (PubChem CID 18962633) has the molecular formula C21H35NO3 and a molecular weight of 349.51 g/mol. Its IUPAC name is N-hydroxy-2-tetradecoxybenzamide.

Molecular Properties

Compound NameN-hydroxy-2-tetradecoxybenzamide
PubChem CID18962633
Molecular FormulaC21H35NO3
Molecular Weight349.51 g/mol
Exact Mass349.26
IUPAC NameN-hydroxy-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccccc1C(=O)NO
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)21(23)22-24/h13-14,16-17,24H,2-12,15,18H2,1H3,(H,22,23)
InChIKeyVHXDKOMNRUUMLR-UHFFFAOYSA-N
XLogP5.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.51
LogP ≤ 55.89
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'}

Analyze N-hydroxy-2-tetradecoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentoxybenzohydrazide
CID 54793215
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
2-hexoxy-N-(methylcarbamothioyl)benzamide
CID 4942752
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
dodecyl 2-dodecoxybenzoate
CID 57240468
magnesium bis(2-decoxybenzoate)
CID 70413847
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
hexyl 2-hexoxybenzoate
CID 86163108
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-tetradecoxybenzamide?
The IUPAC name of N-hydroxy-2-tetradecoxybenzamide (CID 18962633) is N-hydroxy-2-tetradecoxybenzamide.
What is the SMILES notation for N-hydroxy-2-tetradecoxybenzamide?
The canonical SMILES for N-hydroxy-2-tetradecoxybenzamide is CCCCCCCCCCCCCCOc1ccccc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-tetradecoxybenzamide?
The InChIKey is VHXDKOMNRUUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)21(23)22-24/h13-14,16-17,24H,2-12,15,18H2,1H3,(H,22,23).
What are the key properties of N-hydroxy-2-tetradecoxybenzamide?
N-hydroxy-2-tetradecoxybenzamide has a molecular weight of 349.51 g/mol, XLogP of 5.89, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-tetradecoxybenzamide is sourced from PubChem (CID 18962633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).