N-tert-butyl-N-(2-hydroxyethyl)formamide

C7H15NO2 — CID 19694745

IUPACN-tert-butyl-N-(2-hydroxyethyl)formamide
SMILESCC(C)(C)N(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-7(2,3)8(6-10)4-5-9/h6,9H,4-5H2,1-3H3
InChIKeyPIWMKPIUYSAXPV-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds3

About N-tert-butyl-N-(2-hydroxyethyl)formamide

N-tert-butyl-N-(2-hydroxyethyl)formamide (PubChem CID 19694745) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-tert-butyl-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-hydroxyethyl)formamide
PubChem CID19694745
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-tert-butyl-N-(2-hydroxyethyl)formamide
SMILESCC(C)(C)N(C=O)CCO
InChIInChI=1S/C7H15NO2/c1-7(2,3)8(6-10)4-5-9/h6,9H,4-5H2,1-3H3
InChIKeyPIWMKPIUYSAXPV-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-tert-butyl-N-(2-hydroxyethyl)formamide (CID 19694745) is N-tert-butyl-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-tert-butyl-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-tert-butyl-N-(2-hydroxyethyl)formamide is CC(C)(C)N(C=O)CCO.
What is the InChIKey of N-tert-butyl-N-(2-hydroxyethyl)formamide?
The InChIKey is PIWMKPIUYSAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)8(6-10)4-5-9/h6,9H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-N-(2-hydroxyethyl)formamide?
N-tert-butyl-N-(2-hydroxyethyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 19694745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).