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

C12H14N2O — CID 6048763

IUPACN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=O)N/N=C\C(C)=C\c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(9-13-14-11(2)15)8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,14,15)/b10-8+,13-9-
InChIKeyDZJOGGNULPQLQG-VDSCFQBISA-N
MW202.26 g/mol
LogP2.21
Rot. Bonds3

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

N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6048763) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6048763
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=O)N/N=C\C(C)=C\c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(9-13-14-11(2)15)8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,14,15)/b10-8+,13-9-
InChIKeyDZJOGGNULPQLQG-VDSCFQBISA-N
XLogP2.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.21
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,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-hydroxy-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2,2-diphenylacetamide
CID 4156814
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 6048763) is N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(=O)N/N=C\C(C)=C\c1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is DZJOGGNULPQLQG-VDSCFQBISA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(9-13-14-11(2)15)8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,14,15)/b10-8+,13-9-.
What are the key properties of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 202.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6048763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).