N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide

C10H19NO2 — CID 130380794

IUPACN-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CCO)C(C)(C)CC
InChIInChI=1S/C10H19NO2/c1-5-9(13)11(7-8-12)10(3,4)6-2/h5,12H,1,6-8H2,2-4H3
InChIKeyNBJLXRXSAMTKJJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide

N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide (PubChem CID 130380794) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide
PubChem CID130380794
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CCO)C(C)(C)CC
InChIInChI=1S/C10H19NO2/c1-5-9(13)11(7-8-12)10(3,4)6-2/h5,12H,1,6-8H2,2-4H3
InChIKeyNBJLXRXSAMTKJJ-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
N-tert-butyl-N-(hydroxymethyl)prop-2-enamide
CID 19006731
N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
[3-[Hydroxymethyl(prop-2-enoyl)amino]-3-methylbutyl]-trimethylazanium chloride
CID 20255451
[3-[Hydroxymethyl(prop-2-enoyl)amino]-3-methylbutyl]-trimethylazanium
CID 20255452
N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 21584926
N,N-bis(1-hydroxypropyl)prop-2-enamide
CID 22664999
1,3-Bis-(n-acryloyl-n-propyl-amino)-2-hydroxypropane
CID 23132167
N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573264
N-tert-butyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 57289338
Bis(2-hydroxyethyl)-methyl-prop-2-enoylazanium
CID 58113088

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide (CID 130380794) is N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide is C=CC(=O)N(CCO)C(C)(C)CC.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is NBJLXRXSAMTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(13)11(7-8-12)10(3,4)6-2/h5,12H,1,6-8H2,2-4H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 130380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).