N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide

C21H21NO2 — CID 141425670

IUPACN-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide
SMILESCOc1ccc(C2=CC=CCC2(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-16(23)22-21(18-8-4-3-5-9-18)15-7-6-10-20(21)17-11-13-19(24-2)14-12-17/h3-14H,15H2,1-2H3,(H,22,23)
InChIKeyVADCKROVSKRDCJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide

N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 141425670) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide
PubChem CID141425670
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide
SMILESCOc1ccc(C2=CC=CCC2(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-16(23)22-21(18-8-4-3-5-9-18)15-7-6-10-20(21)17-11-13-19(24-2)14-12-17/h3-14H,15H2,1-2H3,(H,22,23)
InChIKeyVADCKROVSKRDCJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-hydroxypropyl)-2-phenylcyclohexa-2,4-dien-1-yl]acetamide
CID 141425096
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide
CID 18513157
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
methyl 1-methoxy-2-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylate
CID 67884390
anisole;ethane;propan-2-one
CID 164986667
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-acetamido-2-(4-methoxyphenyl)-2-methyloxane-3-carboxylic acid
CID 15643851
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 154707286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide (CID 141425670) is N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide is COc1ccc(C2=CC=CCC2(NC(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is VADCKROVSKRDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-16(23)22-21(18-8-4-3-5-9-18)15-7-6-10-20(21)17-11-13-19(24-2)14-12-17/h3-14H,15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide?
N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 141425670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).