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

C9H18N2O2 — CID 114467833

IUPAC3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CCN
InChIInChI=1S/C9H18N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3-7,10H2,2H3,(H,11,12)
InChIKeyVKLVWDZYAIIKPG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.04
Rot. Bonds7

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

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 114467833) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID114467833
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CCN
InChIInChI=1S/C9H18N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3-7,10H2,2H3,(H,11,12)
InChIKeyVKLVWDZYAIIKPG-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.04
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-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
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]-3-(propan-2-ylamino)propanamide
CID 114467955
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
CID 168904058
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 114467833) is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is VKLVWDZYAIIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3-7,10H2,2H3,(H,11,12).
What are the key properties of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 186.25 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 114467833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).