N-methyl-N-(4-propanoylphenyl)ethanimidamide

C12H16N2O — CID 165395416

IUPACN-methyl-N-(4-propanoylphenyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)CC)cc1
InChIInChI=1S/C12H16N2O/c1-4-12(15)10-5-7-11(8-6-10)14(3)9(2)13/h5-8,13H,4H2,1-3H3/b13-9+
InChIKeyOXFLPBSXCITJJV-UKTHLTGXSA-N
MW204.27 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-N-(4-propanoylphenyl)ethanimidamide

N-methyl-N-(4-propanoylphenyl)ethanimidamide (PubChem CID 165395416) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-N-(4-propanoylphenyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(4-propanoylphenyl)ethanimidamide
PubChem CID165395416
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-N-(4-propanoylphenyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)CC)cc1
InChIInChI=1S/C12H16N2O/c1-4-12(15)10-5-7-11(8-6-10)14(3)9(2)13/h5-8,13H,4H2,1-3H3/b13-9+
InChIKeyOXFLPBSXCITJJV-UKTHLTGXSA-N
XLogP2.71
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.71
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'}

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(Dimethylamino)benzophenone
CID 10737
4-Dimethylaminoacetophenone
CID 75037
Shellfish, unspecified
CID 584435
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
Piperazin-4-ylacetophenone
CID 97269
4-(Dimethylamino)benzamide
CID 596365
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CID 222570
(E)-1-(4-dimethylaminophenyl)-3-phenylprop-2-en-1-one
CID 5356057
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienamide
CID 59311339
1-(4-(Dimethylamino)Phenyl)Propan-1-One
CID 117839

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propanoylphenyl)ethanimidamide?
The IUPAC name of N-methyl-N-(4-propanoylphenyl)ethanimidamide (CID 165395416) is N-methyl-N-(4-propanoylphenyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(4-propanoylphenyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(4-propanoylphenyl)ethanimidamide is [H]/N=C(\C)N(C)c1ccc(C(=O)CC)cc1.
What is the InChIKey of N-methyl-N-(4-propanoylphenyl)ethanimidamide?
The InChIKey is OXFLPBSXCITJJV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-12(15)10-5-7-11(8-6-10)14(3)9(2)13/h5-8,13H,4H2,1-3H3/b13-9+.
What are the key properties of N-methyl-N-(4-propanoylphenyl)ethanimidamide?
N-methyl-N-(4-propanoylphenyl)ethanimidamide has a molecular weight of 204.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propanoylphenyl)ethanimidamide is sourced from PubChem (CID 165395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).