2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C18H18N2O — CID 44665707

IUPAC2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-15-9-11-17(12-10-15)14-18(21)20-19-13-5-8-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,20,21)/b8-5+,19-13+
InChIKeyRLMRLDVHWFRZQX-ULKOKDFMSA-N
MW278.36 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 44665707) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID44665707
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-15-9-11-17(12-10-15)14-18(21)20-19-13-5-8-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,20,21)/b8-5+,19-13+
InChIKeyRLMRLDVHWFRZQX-ULKOKDFMSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
CID 6885582
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 44665707) is 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Cc1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is RLMRLDVHWFRZQX-ULKOKDFMSA-N. The full InChI is InChI=1S/C18H18N2O/c1-15-9-11-17(12-10-15)14-18(21)20-19-13-5-8-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,20,21)/b8-5+,19-13+.
What are the key properties of 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 44665707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).