N-dodecyl-N-phenylhydroxylamine

C18H31NO — CID 159931126

IUPACN-dodecyl-N-phenylhydroxylamine
SMILESCCCCCCCCCCCCN(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3
InChIKeyNZQNITJNBYGNEN-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.80
Rot. Bonds12

About N-dodecyl-N-phenylhydroxylamine

N-dodecyl-N-phenylhydroxylamine (PubChem CID 159931126) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-dodecyl-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-dodecyl-N-phenylhydroxylamine
PubChem CID159931126
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-dodecyl-N-phenylhydroxylamine
SMILESCCCCCCCCCCCCN(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3
InChIKeyNZQNITJNBYGNEN-UHFFFAOYSA-N
XLogP5.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octyl(phenyl)carbamic acid
CID 54301990
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
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butane;N-octyl-N-phenylaniline
CID 175431375
N-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-hexyl-N-phenylacetamide
CID 13217997
N-(fluoromethyl)-N-hexylaniline
CID 22637345
tetrakis(N-heptylanilino)phosphanium iodide
CID 21238628
[dodecyl(sulfino)amino]benzene
CID 57109853
N-dodecyl-N-methylaniline;pyridine
CID 22157792
1,1-dihexyl-3,3-diphenylthiourea
CID 20549673

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-phenylhydroxylamine?
The IUPAC name of N-dodecyl-N-phenylhydroxylamine (CID 159931126) is N-dodecyl-N-phenylhydroxylamine.
What is the SMILES notation for N-dodecyl-N-phenylhydroxylamine?
The canonical SMILES for N-dodecyl-N-phenylhydroxylamine is CCCCCCCCCCCCN(O)c1ccccc1.
What is the InChIKey of N-dodecyl-N-phenylhydroxylamine?
The InChIKey is NZQNITJNBYGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3.
What are the key properties of N-dodecyl-N-phenylhydroxylamine?
N-dodecyl-N-phenylhydroxylamine has a molecular weight of 277.45 g/mol, XLogP of 5.80, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-phenylhydroxylamine is sourced from PubChem (CID 159931126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).