3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide

C22H27NO3 — CID 123614427

IUPAC3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C=Cc2cc(C)c(OCOC)c(C)c2)c1
InChIInChI=1S/C22H27NO3/c1-5-11-23-22(24)20-8-6-7-18(14-20)9-10-19-12-16(2)21(17(3)13-19)26-15-25-4/h6-10,12-14H,5,11,15H2,1-4H3,(H,23,24)
InChIKeyKBMOOFHXSGVBIS-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.60
Rot. Bonds8

About 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide

3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide (PubChem CID 123614427) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide
PubChem CID123614427
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C=Cc2cc(C)c(OCOC)c(C)c2)c1
InChIInChI=1S/C22H27NO3/c1-5-11-23-22(24)20-8-6-7-18(14-20)9-10-19-12-16(2)21(17(3)13-19)26-15-25-4/h6-10,12-14H,5,11,15H2,1-4H3,(H,23,24)
InChIKeyKBMOOFHXSGVBIS-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
CID 53250516
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
S-phenyl 3-[2-[3,5-dibromo-4-(methoxymethoxy)phenyl]ethenyl]benzenecarbothioate
CID 123684373
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
methyl (E)-2-cyano-3-[3-(propylcarbamoyl)anilino]prop-2-enoate
CID 17222770
3-(ethylamino)-N-propylbenzamide
CID 43676038

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide?
The IUPAC name of 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide (CID 123614427) is 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide.
What is the SMILES notation for 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide?
The canonical SMILES for 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide is CCCNC(=O)c1cccc(C=Cc2cc(C)c(OCOC)c(C)c2)c1.
What is the InChIKey of 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide?
The InChIKey is KBMOOFHXSGVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-11-23-22(24)20-8-6-7-18(14-20)9-10-19-12-16(2)21(17(3)13-19)26-15-25-4/h6-10,12-14H,5,11,15H2,1-4H3,(H,23,24).
What are the key properties of 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide?
3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide has a molecular weight of 353.46 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methoxymethoxy)-3,5-dimethylphenyl]ethenyl]-N-propylbenzamide is sourced from PubChem (CID 123614427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).