N-benzyl-N-ethylnitrous amide

C9H12N2O — CID 30228

IUPACN-benzyl-N-ethylnitrous amide
SMILESCCN(Cc1ccccc1)N=O
InChIInChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyFEMRUGMGKZBXOL-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.19
Rot. Bonds4

About N-benzyl-N-ethylnitrous amide

N-benzyl-N-ethylnitrous amide (PubChem CID 30228) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-benzyl-N-ethylnitrous amide.

Molecular Properties

Compound NameN-benzyl-N-ethylnitrous amide
PubChem CID30228
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-benzyl-N-ethylnitrous amide
SMILESCCN(Cc1ccccc1)N=O
InChIInChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyFEMRUGMGKZBXOL-UHFFFAOYSA-N
XLogP2.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylnitrous amide?
The IUPAC name of N-benzyl-N-ethylnitrous amide (CID 30228) is N-benzyl-N-ethylnitrous amide.
What is the SMILES notation for N-benzyl-N-ethylnitrous amide?
The canonical SMILES for N-benzyl-N-ethylnitrous amide is CCN(Cc1ccccc1)N=O.
What is the InChIKey of N-benzyl-N-ethylnitrous amide?
The InChIKey is FEMRUGMGKZBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-benzyl-N-ethylnitrous amide?
N-benzyl-N-ethylnitrous amide has a molecular weight of 164.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylnitrous amide is sourced from PubChem (CID 30228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).