N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide

C10H19NO2 — CID 57289338

IUPACN-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h12H,1,6-7H2,2-5H3
InChIKeyHGOCWKYZEMYSOX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds3

About N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide

N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 57289338) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID57289338
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h12H,1,6-7H2,2-5H3
InChIKeyHGOCWKYZEMYSOX-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide (CID 57289338) is N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is HGOCWKYZEMYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h12H,1,6-7H2,2-5H3.
What are the key properties of N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide?
N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 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)-2-methylprop-2-enamide is sourced from PubChem (CID 57289338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).