N-(methoxymethyl)-N-propan-2-ylprop-2-enamide

C8H15NO2 — CID 71442395

IUPACN-(methoxymethyl)-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(COC)C(C)C
InChIInChI=1S/C8H15NO2/c1-5-8(10)9(6-11-4)7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyBJSZJFLEZNJRMX-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds4

About N-(methoxymethyl)-N-propan-2-ylprop-2-enamide

N-(methoxymethyl)-N-propan-2-ylprop-2-enamide (PubChem CID 71442395) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(methoxymethyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(methoxymethyl)-N-propan-2-ylprop-2-enamide
PubChem CID71442395
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(methoxymethyl)-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(COC)C(C)C
InChIInChI=1S/C8H15NO2/c1-5-8(10)9(6-11-4)7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyBJSZJFLEZNJRMX-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
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-(methoxymethyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of N-(methoxymethyl)-N-propan-2-ylprop-2-enamide (CID 71442395) is N-(methoxymethyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-(methoxymethyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-(methoxymethyl)-N-propan-2-ylprop-2-enamide is C=CC(=O)N(COC)C(C)C.
What is the InChIKey of N-(methoxymethyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is BJSZJFLEZNJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(10)9(6-11-4)7(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of N-(methoxymethyl)-N-propan-2-ylprop-2-enamide?
N-(methoxymethyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 71442395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).