N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine

C16H23NO3 — CID 77034344

IUPACN-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(C(C)=NO)ccc1OC1CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-11-5-4-6-14(9-11)20-15-8-7-13(12(2)17-18)10-16(15)19-3/h7-8,10-11,14,18H,4-6,9H2,1-3H3
InChIKeyKJUPELNTGNOGDL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.85
Rot. Bonds4

About N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine

N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine (PubChem CID 77034344) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
PubChem CID77034344
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(C(C)=NO)ccc1OC1CCCC(C)C1
InChIInChI=1S/C16H23NO3/c1-11-5-4-6-14(9-11)20-15-8-7-13(12(2)17-18)10-16(15)19-3/h7-8,10-11,14,18H,4-6,9H2,1-3H3
InChIKeyKJUPELNTGNOGDL-UHFFFAOYSA-N
XLogP3.85
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine (CID 77034344) is N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine is COc1cc(C(C)=NO)ccc1OC1CCCC(C)C1.
What is the InChIKey of N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
The InChIKey is KJUPELNTGNOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-5-4-6-14(9-11)20-15-8-7-13(12(2)17-18)10-16(15)19-3/h7-8,10-11,14,18H,4-6,9H2,1-3H3.
What are the key properties of N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine?
N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine has a molecular weight of 277.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77034344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).