N-(3-phenylpropylideneamino)acetamide

C11H14N2O — CID 3391586

IUPACN-(3-phenylpropylideneamino)acetamide
SMILESCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-10(14)13-12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H,13,14)
InChIKeyOUUSBODFYWUMFM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.74
Rot. Bonds4

About N-(3-phenylpropylideneamino)acetamide

N-(3-phenylpropylideneamino)acetamide (PubChem CID 3391586) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropylideneamino)acetamide
PubChem CID3391586
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(3-phenylpropylideneamino)acetamide
SMILESCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-10(14)13-12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H,13,14)
InChIKeyOUUSBODFYWUMFM-UHFFFAOYSA-N
XLogP1.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of N-(3-phenylpropylideneamino)acetamide (CID 3391586) is N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for N-(3-phenylpropylideneamino)acetamide is CC(=O)NN=CCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropylideneamino)acetamide?
The InChIKey is OUUSBODFYWUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-10(14)13-12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H,13,14).
What are the key properties of N-(3-phenylpropylideneamino)acetamide?
N-(3-phenylpropylideneamino)acetamide has a molecular weight of 190.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 3391586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).