N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide

C20H17NO2 — CID 10380248

IUPACN-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCOC1(c2ccccc2)C=CC(=NC(=O)c2ccccc2)C=C1
InChIInChI=1S/C20H17NO2/c1-23-20(17-10-6-3-7-11-17)14-12-18(13-15-20)21-19(22)16-8-4-2-5-9-16/h2-15H,1H3/b21-18-
InChIKeyONWKBOOEBSKYDP-UZYVYHOESA-N
MW303.36 g/mol
LogP3.94
Rot. Bonds3

About N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide

N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide (PubChem CID 10380248) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide
PubChem CID10380248
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide
SMILESCOC1(c2ccccc2)C=CC(=NC(=O)c2ccccc2)C=C1
InChIInChI=1S/C20H17NO2/c1-23-20(17-10-6-3-7-11-17)14-12-18(13-15-20)21-19(22)16-8-4-2-5-9-16/h2-15H,1H3/b21-18-
InChIKeyONWKBOOEBSKYDP-UZYVYHOESA-N
XLogP3.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide?
The IUPAC name of N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide (CID 10380248) is N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide.
What is the SMILES notation for N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide?
The canonical SMILES for N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide is COC1(c2ccccc2)C=CC(=NC(=O)c2ccccc2)C=C1.
What is the InChIKey of N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide?
The InChIKey is ONWKBOOEBSKYDP-UZYVYHOESA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-20(17-10-6-3-7-11-17)14-12-18(13-15-20)21-19(22)16-8-4-2-5-9-16/h2-15H,1H3/b21-18-.
What are the key properties of N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide?
N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide has a molecular weight of 303.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-phenylcyclohexa-2,5-dien-1-ylidene)benzamide is sourced from PubChem (CID 10380248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).