2-imino-2-phenyl-N-propylacetamide

C11H14N2O — CID 59888029

IUPAC2-imino-2-phenyl-N-propylacetamide
SMILES[H]/N=C(\C(=O)NCCC)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-13-11(14)10(12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,13,14)/b12-10-
InChIKeyZVWFTISCRPEEOH-BENRWUELSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds4

About 2-imino-2-phenyl-N-propylacetamide

2-imino-2-phenyl-N-propylacetamide (PubChem CID 59888029) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-imino-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name2-imino-2-phenyl-N-propylacetamide
PubChem CID59888029
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-imino-2-phenyl-N-propylacetamide
SMILES[H]/N=C(\C(=O)NCCC)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-13-11(14)10(12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,13,14)/b12-10-
InChIKeyZVWFTISCRPEEOH-BENRWUELSA-N
XLogP1.58
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide
CID 176944127
N'-phenyl-N-propyloxamide
CID 2291438
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
2-imino-2-phenylacetamide
CID 18431878
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
CID 15906772
(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
CID 11414802
N-butanimidoylbenzamide
CID 174644030
4-phenyl-N-propylbut-2-enamide
CID 154634438
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-phenyl-N-propylacetamide?
The IUPAC name of 2-imino-2-phenyl-N-propylacetamide (CID 59888029) is 2-imino-2-phenyl-N-propylacetamide.
What is the SMILES notation for 2-imino-2-phenyl-N-propylacetamide?
The canonical SMILES for 2-imino-2-phenyl-N-propylacetamide is [H]/N=C(\C(=O)NCCC)c1ccccc1.
What is the InChIKey of 2-imino-2-phenyl-N-propylacetamide?
The InChIKey is ZVWFTISCRPEEOH-BENRWUELSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-8-13-11(14)10(12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,13,14)/b12-10-.
What are the key properties of 2-imino-2-phenyl-N-propylacetamide?
2-imino-2-phenyl-N-propylacetamide has a molecular weight of 190.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-phenyl-N-propylacetamide is sourced from PubChem (CID 59888029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).