ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate

C11H21N3O3 — CID 103262400

IUPACethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCNC(=O)N(C)C)C(=O)OCC
InChIInChI=1S/C11H21N3O3/c1-5-17-10(15)9(2)8-12-6-7-13-11(16)14(3)4/h12H,2,5-8H2,1,3-4H3,(H,13,16)
InChIKeyDWQHYKQPPMRHFU-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.03
Rot. Bonds7

About ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate

ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate (PubChem CID 103262400) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
PubChem CID103262400
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCNC(=O)N(C)C)C(=O)OCC
InChIInChI=1S/C11H21N3O3/c1-5-17-10(15)9(2)8-12-6-7-13-11(16)14(3)4/h12H,2,5-8H2,1,3-4H3,(H,13,16)
InChIKeyDWQHYKQPPMRHFU-UHFFFAOYSA-N
XLogP-0.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
ethyl 2-[[4-(dimethylamino)butylamino]methyl]prop-2-enoate
CID 103244790
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
ethyl 2-[(3-propoxypropylamino)methyl]prop-2-enoate
CID 103260774
ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
CID 83120346
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573
ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
CID 103234136
ethyl 3-[2-(2-ethoxycarbonylprop-2-enylamino)ethyl-[2-[2-ethoxycarbonylprop-2-enyl-[2-(2-ethoxycarbonylprop-2-enylamino)ethyl]amino]ethyl]amino]-2,2-dimethylpropanoate
CID 163844495
ethyl 2-[(3-oxobutanoylamino)methyl]prop-2-enoate
CID 141340682
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
ethyl 2-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate (CID 103262400) is ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate is C=C(CNCCNC(=O)N(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate?
The InChIKey is DWQHYKQPPMRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-17-10(15)9(2)8-12-6-7-13-11(16)14(3)4/h12H,2,5-8H2,1,3-4H3,(H,13,16).
What are the key properties of ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate?
ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate has a molecular weight of 243.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103262400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).