2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C18H18N2O2 — CID 6252134

IUPAC2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15-8-5-6-12-17(15)22-14-18(21)20-19-13-7-11-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H,20,21)/b11-7+,19-13-
InChIKeyNSDBZZSYNCOFJH-UZYLVVNOSA-N
MW294.35 g/mol
LogP3.19
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6252134) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6252134
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15-8-5-6-12-17(15)22-14-18(21)20-19-13-7-11-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H,20,21)/b11-7+,19-13-
InChIKeyNSDBZZSYNCOFJH-UZYLVVNOSA-N
XLogP3.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.19
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-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6252134) is 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Cc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is NSDBZZSYNCOFJH-UZYLVVNOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15-8-5-6-12-17(15)22-14-18(21)20-19-13-7-11-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H,20,21)/b11-7+,19-13-.
What are the key properties of 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6252134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).