N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide

C11H12N4O2 — CID 2827030

IUPACN-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC#N)N=O)cc1
InChIInChI=1S/C11H12N4O2/c1-9(16)13-10-3-5-11(6-4-10)15(14-17)8-2-7-12/h3-6H,2,8H2,1H3,(H,13,16)
InChIKeyZHABSCQLSSZUSN-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.05
Rot. Bonds5

About N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide

N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide (PubChem CID 2827030) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide
PubChem CID2827030
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCC#N)N=O)cc1
InChIInChI=1S/C11H12N4O2/c1-9(16)13-10-3-5-11(6-4-10)15(14-17)8-2-7-12/h3-6H,2,8H2,1H3,(H,13,16)
InChIKeyZHABSCQLSSZUSN-UHFFFAOYSA-N
XLogP2.05
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-cyanopropanoyl)phenyl]acetamide
CID 2807363
2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2085849
2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)propanamide
CID 55526090
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654148
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-acetamidobenzoate
CID 2640604
N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
CID 14613
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654123
N-(4-acetamidophenyl)-2-(3-cyanopropylsulfanyl)acetamide
CID 82531341
4-[[2-cyanoethyl(methyl)carbamoyl]amino]benzoic acid
CID 61184181
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
cyanomethyl 4-acetamidobenzoate
CID 2397740
N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide
CID 155150500

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide?
The IUPAC name of N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide (CID 2827030) is N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CCC#N)N=O)cc1.
What is the InChIKey of N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide?
The InChIKey is ZHABSCQLSSZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-9(16)13-10-3-5-11(6-4-10)15(14-17)8-2-7-12/h3-6H,2,8H2,1H3,(H,13,16).
What are the key properties of N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide?
N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyanoethyl(nitroso)amino]phenyl]acetamide is sourced from PubChem (CID 2827030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).