N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide

C8H15NO2 — CID 18520794

IUPACN-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CO)CC(C)C
InChIInChI=1S/C8H15NO2/c1-4-8(11)9(6-10)5-7(2)3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyAHYQZXGYXXGNGF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.61
Rot. Bonds4

About N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide

N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 18520794) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID18520794
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CO)CC(C)C
InChIInChI=1S/C8H15NO2/c1-4-8(11)9(6-10)5-7(2)3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyAHYQZXGYXXGNGF-UHFFFAOYSA-N
XLogP0.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide (CID 18520794) is N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide is C=CC(=O)N(CO)CC(C)C.
What is the InChIKey of N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is AHYQZXGYXXGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(11)9(6-10)5-7(2)3/h4,7,10H,1,5-6H2,2-3H3.
What are the key properties of N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide?
N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 18520794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).