ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen

C14H26N2O4 — CID 170570620

IUPACethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen
SMILESC=CC(=O)N(CC)CC(=O)OCC.C=CC(=O)NCC.[H][H]
InChIInChI=1S/C9H15NO3.C5H9NO.H2/c1-4-8(11)10(5-2)7-9(12)13-6-3;1-3-5(7)6-4-2;/h4H,1,5-7H2,2-3H3;3H,1,4H2,2H3,(H,6,7);1H
InChIKeyDTCKVAZSCYGNAF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.14
Rot. Bonds7

About ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen

ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen (PubChem CID 170570620) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen.

Molecular Properties

Compound Nameethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen
PubChem CID170570620
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen
SMILESC=CC(=O)N(CC)CC(=O)OCC.C=CC(=O)NCC.[H][H]
InChIInChI=1S/C9H15NO3.C5H9NO.H2/c1-4-8(11)10(5-2)7-9(12)13-6-3;1-3-5(7)6-4-2;/h4H,1,5-7H2,2-3H3;3H,1,4H2,2H3,(H,6,7);1H
InChIKeyDTCKVAZSCYGNAF-UHFFFAOYSA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
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ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
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ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
CID 121010917
Ethyl 2-(but-2-enoylamino)acetate
CID 4777939
ethyl 2-[[(E)-but-2-enoyl]amino]acetate
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CID 15608862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen?
The IUPAC name of ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen (CID 170570620) is ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen.
What is the SMILES notation for ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen?
The canonical SMILES for ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen is C=CC(=O)N(CC)CC(=O)OCC.C=CC(=O)NCC.[H][H].
What is the InChIKey of ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen?
The InChIKey is DTCKVAZSCYGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C5H9NO.H2/c1-4-8(11)10(5-2)7-9(12)13-6-3;1-3-5(7)6-4-2;/h4H,1,5-7H2,2-3H3;3H,1,4H2,2H3,(H,6,7);1H.
What are the key properties of ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen?
ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen has a molecular weight of 286.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(prop-2-enoyl)amino]acetate;N-ethylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 170570620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).