2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide

C13H24N2O2 — CID 176757616

IUPAC2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CN(C)CC1COC1)C(=O)NCC(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)5-14-13(16)11(3)6-15(4)7-12-8-17-9-12/h10,12H,3,5-9H2,1-2,4H3,(H,14,16)
InChIKeyMLRJVCRQNVZYGD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.89
Rot. Bonds7

About 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide

2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide (PubChem CID 176757616) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide
PubChem CID176757616
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CN(C)CC1COC1)C(=O)NCC(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)5-14-13(16)11(3)6-15(4)7-12-8-17-9-12/h10,12H,3,5-9H2,1-2,4H3,(H,14,16)
InChIKeyMLRJVCRQNVZYGD-UHFFFAOYSA-N
XLogP0.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
(3-Methoxy-3-oxopropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 134994267
N-(3-methoxypropyl)-2-methylprop-2-enamide
CID 9989479
N-[3-(dimethylamino)-3-hydroxypropyl]-2-methylprop-2-enamide
CID 17895318
2-(diethylaminomethyl)-N-propylprop-2-enamide
CID 20223416
2-methyl-N-(3-propoxypropyl)prop-2-enamide
CID 20591608
N-(3-ethoxypropyl)-2-methylprop-2-enamide
CID 22618944
N-[3-[bis(2-methylpropyl)amino]propyl]-2-methylprop-2-enamide
CID 53721325
2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide
CID 59532884
2-(ethylaminomethyl)-N-(2-methylpropyl)prop-2-enamide
CID 87120192
2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide
CID 87315079
2-[(dimethylamino)methyl]-N-ethylprop-2-enamide
CID 87351215

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide (CID 176757616) is 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide is C=C(CN(C)CC1COC1)C(=O)NCC(C)C.
What is the InChIKey of 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is MLRJVCRQNVZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)5-14-13(16)11(3)6-15(4)7-12-8-17-9-12/h10,12H,3,5-9H2,1-2,4H3,(H,14,16).
What are the key properties of 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide?
2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxetan-3-ylmethyl)amino]methyl]-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 176757616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).