N-[(E)-2-phenylethylideneamino]butanamide

C12H16N2O — CID 17340082

IUPACN-[(E)-2-phenylethylideneamino]butanamide
SMILESCCCC(=O)N/N=C/Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-12(15)14-13-10-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15)/b13-10+
InChIKeyNACOCDOUTRUCOM-JLHYYAGUSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds5

About N-[(E)-2-phenylethylideneamino]butanamide

N-[(E)-2-phenylethylideneamino]butanamide (PubChem CID 17340082) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(E)-2-phenylethylideneamino]butanamide.

Molecular Properties

Compound NameN-[(E)-2-phenylethylideneamino]butanamide
PubChem CID17340082
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(E)-2-phenylethylideneamino]butanamide
SMILESCCCC(=O)N/N=C/Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-12(15)14-13-10-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15)/b13-10+
InChIKeyNACOCDOUTRUCOM-JLHYYAGUSA-N
XLogP2.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
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-(2-phenylethylideneamino)nonanamide
CID 3280851
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-(2-phenylethylideneamino)-2-propoxybenzamide
CID 4931468
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate
CID 4932439
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922546
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181
4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide
CID 4922545
N-benzyl-N'-(2-methylpropylideneamino)butanediamide
CID 4924753
N-[(E)-benzylideneamino]heptanamide
CID 6083821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-phenylethylideneamino]butanamide?
The IUPAC name of N-[(E)-2-phenylethylideneamino]butanamide (CID 17340082) is N-[(E)-2-phenylethylideneamino]butanamide.
What is the SMILES notation for N-[(E)-2-phenylethylideneamino]butanamide?
The canonical SMILES for N-[(E)-2-phenylethylideneamino]butanamide is CCCC(=O)N/N=C/Cc1ccccc1.
What is the InChIKey of N-[(E)-2-phenylethylideneamino]butanamide?
The InChIKey is NACOCDOUTRUCOM-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-6-12(15)14-13-10-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15)/b13-10+.
What are the key properties of N-[(E)-2-phenylethylideneamino]butanamide?
N-[(E)-2-phenylethylideneamino]butanamide has a molecular weight of 204.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-phenylethylideneamino]butanamide is sourced from PubChem (CID 17340082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).