[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone

C17H17NO2 — CID 164678999

IUPAC[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone
SMILESCO/N=C(\C)c1ccc(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12-9-10-15(13(2)18-20-3)16(11-12)17(19)14-7-5-4-6-8-14/h4-11H,1-3H3/b18-13+
InChIKeyCQMMKJHTAVHPHK-QGOAFFKASA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds4

About [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone

[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone (PubChem CID 164678999) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone
PubChem CID164678999
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone
SMILESCO/N=C(\C)c1ccc(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12-9-10-15(13(2)18-20-3)16(11-12)17(19)14-7-5-4-6-8-14/h4-11H,1-3H3/b18-13+
InChIKeyCQMMKJHTAVHPHK-QGOAFFKASA-N
XLogP3.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone?
The IUPAC name of [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone (CID 164678999) is [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone.
What is the SMILES notation for [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone?
The canonical SMILES for [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone is CO/N=C(\C)c1ccc(C)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone?
The InChIKey is CQMMKJHTAVHPHK-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-9-10-15(13(2)18-20-3)16(11-12)17(19)14-7-5-4-6-8-14/h4-11H,1-3H3/b18-13+.
What are the key properties of [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone?
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone has a molecular weight of 267.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone is sourced from PubChem (CID 164678999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).