N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide

C11H16N2O2 — CID 14194446

IUPACN-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
SMILESCC(C)N(CC(O)c1ccccc1)N=O
InChIInChI=1S/C11H16N2O2/c1-9(2)13(12-15)8-11(14)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3
InChIKeyIZXVXGKOPIGFHP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide

N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide (PubChem CID 14194446) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
PubChem CID14194446
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
SMILESCC(C)N(CC(O)c1ccccc1)N=O
InChIInChI=1S/C11H16N2O2/c1-9(2)13(12-15)8-11(14)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3
InChIKeyIZXVXGKOPIGFHP-UHFFFAOYSA-N
XLogP2.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide (CID 14194446) is N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide is CC(C)N(CC(O)c1ccccc1)N=O.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide?
The InChIKey is IZXVXGKOPIGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(2)13(12-15)8-11(14)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide?
N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide has a molecular weight of 208.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide is sourced from PubChem (CID 14194446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).