N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine

C24H41NO2 — CID 88636800

IUPACN-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine
SMILESCOc1ccc(C)cc1CCCCCCCCCCCCCCCC=NO
InChIInChI=1S/C24H41NO2/c1-22-18-19-24(27-2)23(21-22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-25-26/h18-21,26H,3-17H2,1-2H3
InChIKeyNTNCZAWMWKVCTL-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.47
Rot. Bonds17

About N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine

N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine (PubChem CID 88636800) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine
PubChem CID88636800
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine
SMILESCOc1ccc(C)cc1CCCCCCCCCCCCCCCC=NO
InChIInChI=1S/C24H41NO2/c1-22-18-19-24(27-2)23(21-22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-25-26/h18-21,26H,3-17H2,1-2H3
InChIKeyNTNCZAWMWKVCTL-UHFFFAOYSA-N
XLogP7.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
CID 143806705
5-(2-methoxy-5-methylphenyl)-N'-methylpentanehydrazide
CID 116846603
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
2-but-3-ynyl-1-methoxy-4-methylbenzene
CID 82363112
4-(2-methoxy-5-methylphenyl)-1-(methylamino)butan-2-one
CID 112517838
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene
CID 143806809
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089

Frequently Asked Questions

What is the IUPAC name of N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine?
The IUPAC name of N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine (CID 88636800) is N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine.
What is the SMILES notation for N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine?
The canonical SMILES for N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine is COc1ccc(C)cc1CCCCCCCCCCCCCCCC=NO.
What is the InChIKey of N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine?
The InChIKey is NTNCZAWMWKVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-22-18-19-24(27-2)23(21-22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-25-26/h18-21,26H,3-17H2,1-2H3.
What are the key properties of N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine?
N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine has a molecular weight of 375.60 g/mol, XLogP of 7.47, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[16-(2-methoxy-5-methylphenyl)hexadecylidene]hydroxylamine is sourced from PubChem (CID 88636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).