N-[(2-dodecoxyphenyl)methylidene]hydroxylamine

C19H31NO2 — CID 87774560

IUPACN-[(2-dodecoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCCCCOc1ccccc1C=NO
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19-15-12-11-14-18(19)17-20-21/h11-12,14-15,17,21H,2-10,13,16H2,1H3
InChIKeyGVTQQXMVSYYNCC-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.79
Rot. Bonds13

About N-[(2-dodecoxyphenyl)methylidene]hydroxylamine

N-[(2-dodecoxyphenyl)methylidene]hydroxylamine (PubChem CID 87774560) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[(2-dodecoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-dodecoxyphenyl)methylidene]hydroxylamine
PubChem CID87774560
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-[(2-dodecoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCCCCOc1ccccc1C=NO
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19-15-12-11-14-18(19)17-20-21/h11-12,14-15,17,21H,2-10,13,16H2,1H3
InChIKeyGVTQQXMVSYYNCC-UHFFFAOYSA-N
XLogP5.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.79
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-dodecoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-dodecoxyphenyl)methylidene]hydroxylamine (CID 87774560) is N-[(2-dodecoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-dodecoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-dodecoxyphenyl)methylidene]hydroxylamine is CCCCCCCCCCCCOc1ccccc1C=NO.
What is the InChIKey of N-[(2-dodecoxyphenyl)methylidene]hydroxylamine?
The InChIKey is GVTQQXMVSYYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19-15-12-11-14-18(19)17-20-21/h11-12,14-15,17,21H,2-10,13,16H2,1H3.
What are the key properties of N-[(2-dodecoxyphenyl)methylidene]hydroxylamine?
N-[(2-dodecoxyphenyl)methylidene]hydroxylamine has a molecular weight of 305.46 g/mol, XLogP of 5.79, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-dodecoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87774560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).