N-tert-butyl-N-phenylnitrous amide

C10H14N2O — CID 3336608

IUPACN-tert-butyl-N-phenylnitrous amide
SMILESCC(C)(C)N(N=O)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12(11-13)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyRYNVJEJSRDCKMF-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.97
Rot. Bonds2

About N-tert-butyl-N-phenylnitrous amide

N-tert-butyl-N-phenylnitrous amide (PubChem CID 3336608) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-tert-butyl-N-phenylnitrous amide.

Molecular Properties

Compound NameN-tert-butyl-N-phenylnitrous amide
PubChem CID3336608
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-tert-butyl-N-phenylnitrous amide
SMILESCC(C)(C)N(N=O)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12(11-13)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyRYNVJEJSRDCKMF-UHFFFAOYSA-N
XLogP2.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.97
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-tert-butyl-N-phenylnitrous amide?
The IUPAC name of N-tert-butyl-N-phenylnitrous amide (CID 3336608) is N-tert-butyl-N-phenylnitrous amide.
What is the SMILES notation for N-tert-butyl-N-phenylnitrous amide?
The canonical SMILES for N-tert-butyl-N-phenylnitrous amide is CC(C)(C)N(N=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-phenylnitrous amide?
The InChIKey is RYNVJEJSRDCKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)12(11-13)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of N-tert-butyl-N-phenylnitrous amide?
N-tert-butyl-N-phenylnitrous amide has a molecular weight of 178.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-phenylnitrous amide is sourced from PubChem (CID 3336608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).