3-[(2-methylpropan-2-yl)oxymethylamino]propanamide

C8H18N2O2 — CID 130284943

IUPAC3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
SMILESCC(C)(C)OCNCCC(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-6-10-5-4-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBRRHSTKUDUIXFM-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.22
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide

3-[(2-methylpropan-2-yl)oxymethylamino]propanamide (PubChem CID 130284943) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
PubChem CID130284943
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
SMILESCC(C)(C)OCNCCC(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-6-10-5-4-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBRRHSTKUDUIXFM-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-methylpropan-2-yl)oxymethyl]ethane-1,2-diamine
CID 123765079
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
ethane;3-(ethylamino)propanamide
CID 156743022
3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
CID 177307033
tert-butyl 3-[(5-amino-5-oxopentyl)amino]propanoate
CID 106238269
3-(aminomethylamino)propanamide
CID 123274483
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
3-(1,1-difluoroethylamino)propanamide
CID 162133610
3-(prop-2-ynylamino)propanamide
CID 43090029
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
CID 112588033

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide (CID 130284943) is 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide is CC(C)(C)OCNCCC(N)=O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide?
The InChIKey is BRRHSTKUDUIXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-6-10-5-4-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide?
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide has a molecular weight of 174.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethylamino]propanamide is sourced from PubChem (CID 130284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).