2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide

C10H17N3O2 — CID 121412691

IUPAC2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC(=O)NCC=C
InChIInChI=1S/C10H17N3O2/c1-3-5-12-9(14)7-11-8-10(15)13-6-4-2/h3-4,11H,1-2,5-8H2,(H,12,14)(H,13,15)
InChIKeyDRCHSRPRXGUOPO-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.82
Rot. Bonds8

About 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide

2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide (PubChem CID 121412691) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide
PubChem CID121412691
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC(=O)NCC=C
InChIInChI=1S/C10H17N3O2/c1-3-5-12-9(14)7-11-8-10(15)13-6-4-2/h3-4,11H,1-2,5-8H2,(H,12,14)(H,13,15)
InChIKeyDRCHSRPRXGUOPO-UHFFFAOYSA-N
XLogP-0.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
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-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide (CID 121412691) is 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide is C=CCNC(=O)CNCC(=O)NCC=C.
What is the InChIKey of 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide?
The InChIKey is DRCHSRPRXGUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-12-9(14)7-11-8-10(15)13-6-4-2/h3-4,11H,1-2,5-8H2,(H,12,14)(H,13,15).
What are the key properties of 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide?
2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide has a molecular weight of 211.26 g/mol, XLogP of -0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 121412691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).