(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide

C9H18N4O2 — CID 87682445

IUPAC(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide
SMILESCN/C=C(\C(=O)NC)N(CC=O)CNC
InChIInChI=1S/C9H18N4O2/c1-10-6-8(9(15)12-3)13(4-5-14)7-11-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,15)/b8-6+
InChIKeyUTFZZADINKYHML-SOFGYWHQSA-N
MW214.27 g/mol
LogP-1.53
Rot. Bonds7

About (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide

(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide (PubChem CID 87682445) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide
PubChem CID87682445
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide
SMILESCN/C=C(\C(=O)NC)N(CC=O)CNC
InChIInChI=1S/C9H18N4O2/c1-10-6-8(9(15)12-3)13(4-5-14)7-11-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,15)/b8-6+
InChIKeyUTFZZADINKYHML-SOFGYWHQSA-N
XLogP-1.53
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide (CID 87682445) is (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide is CN/C=C(\C(=O)NC)N(CC=O)CNC.
What is the InChIKey of (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide?
The InChIKey is UTFZZADINKYHML-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-10-6-8(9(15)12-3)13(4-5-14)7-11-2/h5-6,10-11H,4,7H2,1-3H3,(H,12,15)/b8-6+.
What are the key properties of (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide?
(E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide has a molecular weight of 214.27 g/mol, XLogP of -1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(methylamino)-2-[methylaminomethyl(2-oxoethyl)amino]prop-2-enamide is sourced from PubChem (CID 87682445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).