N-hydroxy-N-methyl-3-tridecylbenzamide

C21H35NO2 — CID 159220430

IUPACN-hydroxy-N-methyl-3-tridecylbenzamide
SMILESCCCCCCCCCCCCCc1cccc(C(=O)N(C)O)c1
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-20(18-19)21(23)22(2)24/h14,16-18,24H,3-13,15H2,1-2H3
InChIKeyKRPOBNKXYLRAAZ-UHFFFAOYSA-N
MW333.52 g/mol
LogP6.00
Rot. Bonds13

About N-hydroxy-N-methyl-3-tridecylbenzamide

N-hydroxy-N-methyl-3-tridecylbenzamide (PubChem CID 159220430) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-hydroxy-N-methyl-3-tridecylbenzamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-3-tridecylbenzamide
PubChem CID159220430
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC NameN-hydroxy-N-methyl-3-tridecylbenzamide
SMILESCCCCCCCCCCCCCc1cccc(C(=O)N(C)O)c1
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-20(18-19)21(23)22(2)24/h14,16-18,24H,3-13,15H2,1-2H3
InChIKeyKRPOBNKXYLRAAZ-UHFFFAOYSA-N
XLogP6.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

3-octylbenzoate
CID 140615261
sodium 3-pentylbenzoate
CID 169082106
N-(hydroxymethyl)-3-tetradecylbenzamide
CID 57272721
acetyl 3-octylbenzoate
CID 57291540
methanol;2-oxo-2-(3-pentylphenyl)acetic acid
CID 144699085
1,3-di(tetradecyl)benzene
CID 91053224
3-octadec-7-enylbenzoic acid
CID 142668812
methyl 2-[(3-hexylbenzoyl)amino]acetate
CID 138465630
2-(3-heptylphenyl)-2-hydroxyiminoethanol
CID 173361947
2-hydroxyimino-2-(3-pentadecylphenyl)ethanol
CID 173221789
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
lithium 3-butylbenzoate
CID 101299949

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-3-tridecylbenzamide?
The IUPAC name of N-hydroxy-N-methyl-3-tridecylbenzamide (CID 159220430) is N-hydroxy-N-methyl-3-tridecylbenzamide.
What is the SMILES notation for N-hydroxy-N-methyl-3-tridecylbenzamide?
The canonical SMILES for N-hydroxy-N-methyl-3-tridecylbenzamide is CCCCCCCCCCCCCc1cccc(C(=O)N(C)O)c1.
What is the InChIKey of N-hydroxy-N-methyl-3-tridecylbenzamide?
The InChIKey is KRPOBNKXYLRAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-20(18-19)21(23)22(2)24/h14,16-18,24H,3-13,15H2,1-2H3.
What are the key properties of N-hydroxy-N-methyl-3-tridecylbenzamide?
N-hydroxy-N-methyl-3-tridecylbenzamide has a molecular weight of 333.52 g/mol, XLogP of 6.00, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-3-tridecylbenzamide is sourced from PubChem (CID 159220430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).