N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide

C10H10N2O3 — CID 91461278

IUPACN-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C=O)N=O)c1
InChIInChI=1S/C10H10N2O3/c1-7(14)11-9-4-2-3-8(5-9)10(6-13)12-15/h2-6,10H,1H3,(H,11,14)
InChIKeyRIBGTJHBUZYGJV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.65
Rot. Bonds4

About N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide

N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide (PubChem CID 91461278) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide
PubChem CID91461278
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C=O)N=O)c1
InChIInChI=1S/C10H10N2O3/c1-7(14)11-9-4-2-3-8(5-9)10(6-13)12-15/h2-6,10H,1H3,(H,11,14)
InChIKeyRIBGTJHBUZYGJV-UHFFFAOYSA-N
XLogP1.65
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
CID 66516552
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
CID 66510191
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide
CID 130470017
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-[1-(3-acetamidophenyl)ethyl]but-2-enamide
CID 113221646
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide?
The IUPAC name of N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide (CID 91461278) is N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide is CC(=O)Nc1cccc(C(C=O)N=O)c1.
What is the InChIKey of N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide?
The InChIKey is RIBGTJHBUZYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(14)11-9-4-2-3-8(5-9)10(6-13)12-15/h2-6,10H,1H3,(H,11,14).
What are the key properties of N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide?
N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide has a molecular weight of 206.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide is sourced from PubChem (CID 91461278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).