N-(4-cyanophenoxy)-2-oxopropanamide

C10H8N2O3 — CID 175370442

IUPACN-(4-cyanophenoxy)-2-oxopropanamide
SMILESCC(=O)C(=O)NOc1ccc(C#N)cc1
InChIInChI=1S/C10H8N2O3/c1-7(13)10(14)12-15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H,12,14)
InChIKeySRERXJCUMOYUAP-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.56
Rot. Bonds3

About N-(4-cyanophenoxy)-2-oxopropanamide

N-(4-cyanophenoxy)-2-oxopropanamide (PubChem CID 175370442) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is N-(4-cyanophenoxy)-2-oxopropanamide.

Molecular Properties

Compound NameN-(4-cyanophenoxy)-2-oxopropanamide
PubChem CID175370442
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC NameN-(4-cyanophenoxy)-2-oxopropanamide
SMILESCC(=O)C(=O)NOc1ccc(C#N)cc1
InChIInChI=1S/C10H8N2O3/c1-7(13)10(14)12-15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H,12,14)
InChIKeySRERXJCUMOYUAP-UHFFFAOYSA-N
XLogP0.56
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-cyanophenoxy)-2-oxopropanamide 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-(4-cyanophenoxy)acetamide
CID 174609340
ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
(4-cyanophenyl) propanoate
CID 643285
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
4-methoxy(13C)benzonitrile
CID 175991125
methyl 2-[acetyl(methyl)amino]-2-(4-cyanophenyl)acetate
CID 101373466

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenoxy)-2-oxopropanamide?
The IUPAC name of N-(4-cyanophenoxy)-2-oxopropanamide (CID 175370442) is N-(4-cyanophenoxy)-2-oxopropanamide.
What is the SMILES notation for N-(4-cyanophenoxy)-2-oxopropanamide?
The canonical SMILES for N-(4-cyanophenoxy)-2-oxopropanamide is CC(=O)C(=O)NOc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenoxy)-2-oxopropanamide?
The InChIKey is SRERXJCUMOYUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-7(13)10(14)12-15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H,12,14).
What are the key properties of N-(4-cyanophenoxy)-2-oxopropanamide?
N-(4-cyanophenoxy)-2-oxopropanamide has a molecular weight of 204.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenoxy)-2-oxopropanamide is sourced from PubChem (CID 175370442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).