N-(4-methoxyphenyl)-N-methylnitrous amide

C8H10N2O2 — CID 13657

IUPACN-(4-methoxyphenyl)-N-methylnitrous amide
SMILESCOc1ccc(N(C)N=O)cc1
InChIInChI=1S/C8H10N2O2/c1-10(9-11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChIKeyKGZKEAKAKSKGAA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.81
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methylnitrous amide

N-(4-methoxyphenyl)-N-methylnitrous amide (PubChem CID 13657) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methylnitrous amide
PubChem CID13657
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(4-methoxyphenyl)-N-methylnitrous amide
SMILESCOc1ccc(N(C)N=O)cc1
InChIInChI=1S/C8H10N2O2/c1-10(9-11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChIKeyKGZKEAKAKSKGAA-UHFFFAOYSA-N
XLogP1.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-N-methylnitrous amide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methylnitrous amide?
The IUPAC name of N-(4-methoxyphenyl)-N-methylnitrous amide (CID 13657) is N-(4-methoxyphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methylnitrous amide is COc1ccc(N(C)N=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methylnitrous amide?
The InChIKey is KGZKEAKAKSKGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(9-11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methylnitrous amide?
N-(4-methoxyphenyl)-N-methylnitrous amide has a molecular weight of 166.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methylnitrous amide is sourced from PubChem (CID 13657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).