(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide

C9H15N3O3 — CID 20719136

IUPAC(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(=O)NCC(=O)NC
InChIInChI=1S/C9H15N3O3/c1-3-4-7(13)11-6-9(15)12-5-8(14)10-2/h3-4H,5-6H2,1-2H3,(H,10,14)(H,11,13)(H,12,15)/b4-3+
InChIKeyUQCKCFLZLGRQSX-ONEGZZNKSA-N
MW213.24 g/mol
LogP-1.46
Rot. Bonds5

About (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide

(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide (PubChem CID 20719136) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
PubChem CID20719136
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
SMILESC/C=C/C(=O)NCC(=O)NCC(=O)NC
InChIInChI=1S/C9H15N3O3/c1-3-4-7(13)11-6-9(15)12-5-8(14)10-2/h3-4H,5-6H2,1-2H3,(H,10,14)(H,11,13)(H,12,15)/b4-3+
InChIKeyUQCKCFLZLGRQSX-ONEGZZNKSA-N
XLogP-1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide (CID 20719136) is (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide is C/C=C/C(=O)NCC(=O)NCC(=O)NC.
What is the InChIKey of (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide?
The InChIKey is UQCKCFLZLGRQSX-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-7(13)11-6-9(15)12-5-8(14)10-2/h3-4H,5-6H2,1-2H3,(H,10,14)(H,11,13)(H,12,15)/b4-3+.
What are the key properties of (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide?
(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide has a molecular weight of 213.24 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide is sourced from PubChem (CID 20719136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).