N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide

C13H13N5O — CID 169341396

IUPACN-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C13H13N5O/c1-10(19)16-7-6-11-2-4-12(5-3-11)17-18-13(8-14)9-15/h2-5,17H,6-7H2,1H3,(H,16,19)
InChIKeyHOVODQRZINDLGS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.18
Rot. Bonds5

About N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide

N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide (PubChem CID 169341396) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide
PubChem CID169341396
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C13H13N5O/c1-10(19)16-7-6-11-2-4-12(5-3-11)17-18-13(8-14)9-15/h2-5,17H,6-7H2,1H3,(H,16,19)
InChIKeyHOVODQRZINDLGS-UHFFFAOYSA-N
XLogP1.18
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
CID 169341976
2-[[4-(methylsulfonylmethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338895
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106
methyl 3-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]-2-phenylpropanoate
CID 169340327
2-[[4-(2-hydroxyethylsulfonylmethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339691
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]sulfanylacetic acid
CID 169340122
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
CID 169338231

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide (CID 169341396) is N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(NN=C(C#N)C#N)cc1.
What is the InChIKey of N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide?
The InChIKey is HOVODQRZINDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-10(19)16-7-6-11-2-4-12(5-3-11)17-18-13(8-14)9-15/h2-5,17H,6-7H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 169341396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).