N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide

C16H14N2O — CID 134873908

IUPACN'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide
SMILESC/N=C(/Nc1ccccc1)C(=C=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-17-16(18-14-10-6-3-7-11-14)15(12-19)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18)
InChIKeyYIHZFBXZZYYASW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.04
Rot. Bonds3

About N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide

N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide (PubChem CID 134873908) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide
PubChem CID134873908
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide
SMILESC/N=C(/Nc1ccccc1)C(=C=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-17-16(18-14-10-6-3-7-11-14)15(12-19)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18)
InChIKeyYIHZFBXZZYYASW-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide
CID 176534523
3-anilino-2-phenylbut-2-enenitrile
CID 134837967
ethane;N-phenylcarbamoyl chloride
CID 91362970
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096
1-cyano-2-methyl-3-phenylguanidine;ethane
CID 90945142
methyl N-methyl-2-phenylbuta-2,3-dienimidothioate
CID 101106333
cobalt;N-phenylacetamide
CID 158689050
3-imino-2,3-diphenylprop-1-en-1-one
CID 11447363
3-anilino-4-oxobut-3-enoic acid
CID 176518007
2-methoxy-2-phenylethenone
CID 11819198
molecular hydrogen;N-phenylbenzamide
CID 145238042
nitrous acid;N-phenylacetamide
CID 174797407

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide?
The IUPAC name of N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide (CID 134873908) is N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide.
What is the SMILES notation for N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide?
The canonical SMILES for N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide is C/N=C(/Nc1ccccc1)C(=C=O)c1ccccc1.
What is the InChIKey of N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide?
The InChIKey is YIHZFBXZZYYASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-17-16(18-14-10-6-3-7-11-14)15(12-19)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18).
What are the key properties of N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide?
N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide has a molecular weight of 250.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-oxo-N,2-diphenylprop-2-enimidamide is sourced from PubChem (CID 134873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).