2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide

C11H19N3O2 — CID 51073538

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C11H19N3O2/c1-3-6-12-10(15)7-14(2)8-11(16)13-9-4-5-9/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyTXFKHFPTTBRXEP-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.50
Rot. Bonds7

About 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide (PubChem CID 51073538) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
PubChem CID51073538
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C11H19N3O2/c1-3-6-12-10(15)7-14(2)8-11(16)13-9-4-5-9/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyTXFKHFPTTBRXEP-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide (CID 51073538) is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide?
The InChIKey is TXFKHFPTTBRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-12-10(15)7-14(2)8-11(16)13-9-4-5-9/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,16).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide has a molecular weight of 225.29 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 51073538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).