acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine

C16H23NO4 — CID 88834953

IUPACacetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine
SMILESCC(=O)O.COC1(c2ccccc2C)CCC(=NO)CC1
InChIInChI=1S/C14H19NO2.C2H4O2/c1-11-5-3-4-6-13(11)14(17-2)9-7-12(15-16)8-10-14;1-2(3)4/h3-6,16H,7-10H2,1-2H3;1H3,(H,3,4)/b15-12-;
InChIKeyPSUDIDXAPDFGTJ-OBBOLZQKSA-N
MW293.36 g/mol
LogP3.33
Rot. Bonds2

About acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine

acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine (PubChem CID 88834953) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine
PubChem CID88834953
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameacetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine
SMILESCC(=O)O.COC1(c2ccccc2C)CCC(=NO)CC1
InChIInChI=1S/C14H19NO2.C2H4O2/c1-11-5-3-4-6-13(11)14(17-2)9-7-12(15-16)8-10-14;1-2(3)4/h3-6,16H,7-10H2,1-2H3;1H3,(H,3,4)/b15-12-;
InChIKeyPSUDIDXAPDFGTJ-OBBOLZQKSA-N
XLogP3.33
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
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 acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine?
The IUPAC name of acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine (CID 88834953) is acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine?
The canonical SMILES for acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine is CC(=O)O.COC1(c2ccccc2C)CCC(=NO)CC1.
What is the InChIKey of acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine?
The InChIKey is PSUDIDXAPDFGTJ-OBBOLZQKSA-N. The full InChI is InChI=1S/C14H19NO2.C2H4O2/c1-11-5-3-4-6-13(11)14(17-2)9-7-12(15-16)8-10-14;1-2(3)4/h3-6,16H,7-10H2,1-2H3;1H3,(H,3,4)/b15-12-;.
What are the key properties of acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine?
acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine has a molecular weight of 293.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[4-methoxy-4-(2-methylphenyl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 88834953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).