3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C10H20N2O2 — CID 114467912

IUPAC3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CCNC
InChIInChI=1S/C10H20N2O2/c1-9(2)8-14-7-6-12-10(13)4-5-11-3/h11H,1,4-8H2,2-3H3,(H,12,13)
InChIKeyOVQORKXAZAIEPY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.30
Rot. Bonds8

About 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 114467912) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID114467912
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CCNC
InChIInChI=1S/C10H20N2O2/c1-9(2)8-14-7-6-12-10(13)4-5-11-3/h11H,1,4-8H2,2-3H3,(H,12,13)
InChIKeyOVQORKXAZAIEPY-UHFFFAOYSA-N
XLogP0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 114467912) is 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)CCNC.
What is the InChIKey of 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is OVQORKXAZAIEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)8-14-7-6-12-10(13)4-5-11-3/h11H,1,4-8H2,2-3H3,(H,12,13).
What are the key properties of 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 200.28 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 114467912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).