N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid

C15H25NO5 — CID 118451441

IUPACN,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)N(CC)CC.C=CC(=O)O.C=CC(=O)OCC
InChIInChI=1S/C7H13NO.C5H8O2.C3H4O2/c1-4-7(9)8(5-2)6-3;1-3-5(6)7-4-2;1-2-3(4)5/h4H,1,5-6H2,2-3H3;3H,1,4H2,2H3;2H,1H2,(H,4,5)
InChIKeyIGBOZBYYJUHERK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.03
Rot. Bonds6

About N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid

N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid (PubChem CID 118451441) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound NameN,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
PubChem CID118451441
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC NameN,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)N(CC)CC.C=CC(=O)O.C=CC(=O)OCC
InChIInChI=1S/C7H13NO.C5H8O2.C3H4O2/c1-4-7(9)8(5-2)6-3;1-3-5(6)7-4-2;1-2-3(4)5/h4H,1,5-6H2,2-3H3;3H,1,4H2,2H3;2H,1H2,(H,4,5)
InChIKeyIGBOZBYYJUHERK-UHFFFAOYSA-N
XLogP2.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.03
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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ethene;ethyl prop-2-enoate;urea
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CID 86733401
azane;ethyl carbamate;prop-2-enoic acid
CID 172762605
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
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CID 174581308
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Frequently Asked Questions

What is the IUPAC name of N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid?
The IUPAC name of N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid (CID 118451441) is N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid is C=CC(=O)N(CC)CC.C=CC(=O)O.C=CC(=O)OCC.
What is the InChIKey of N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid?
The InChIKey is IGBOZBYYJUHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H8O2.C3H4O2/c1-4-7(9)8(5-2)6-3;1-3-5(6)7-4-2;1-2-3(4)5/h4H,1,5-6H2,2-3H3;3H,1,4H2,2H3;2H,1H2,(H,4,5).
What are the key properties of N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid?
N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 118451441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).