2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

C20H22N2O2 — CID 71831047

IUPAC2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)COc1ccc(C)c(C)c1)=Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(11-18-7-5-4-6-8-18)13-21-22-20(23)14-24-19-10-9-16(2)17(3)12-19/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyVSNQGKRCRWWTAL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.89
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (PubChem CID 71831047) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
PubChem CID71831047
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)COc1ccc(C)c(C)c1)=Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(11-18-7-5-4-6-8-18)13-21-22-20(23)14-24-19-10-9-16(2)17(3)12-19/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyVSNQGKRCRWWTAL-UHFFFAOYSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
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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Related Compounds

2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 2852207
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (CID 71831047) is 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is CC(C=NNC(=O)COc1ccc(C)c(C)c1)=Cc1ccccc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The InChIKey is VSNQGKRCRWWTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(11-18-7-5-4-6-8-18)13-21-22-20(23)14-24-19-10-9-16(2)17(3)12-19/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is sourced from PubChem (CID 71831047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).