2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide

C12H20NO5P — CID 121359437

IUPAC2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCC(=O)CP=O
InChIInChI=1S/C12H20NO5P/c1-10(2)12(15)13-4-6-18-8-7-17-5-3-11(14)9-19-16/h1,3-9H2,2H3,(H,13,15)
InChIKeyGUDXLMPMSBPTOZ-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.96
Rot. Bonds12

About 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide

2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide (PubChem CID 121359437) has the molecular formula C12H20NO5P and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide
PubChem CID121359437
Molecular FormulaC12H20NO5P
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCC(=O)CP=O
InChIInChI=1S/C12H20NO5P/c1-10(2)12(15)13-4-6-18-8-7-17-5-3-11(14)9-19-16/h1,3-9H2,2H3,(H,13,15)
InChIKeyGUDXLMPMSBPTOZ-UHFFFAOYSA-N
XLogP0.96
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
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CID 160653023
2-methyl-N-[2-[2-[2-[[2-(phosphanylamino)oxyacetyl]amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 144887822
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
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2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide (CID 121359437) is 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide is C=C(C)C(=O)NCCOCCOCCC(=O)CP=O.
What is the InChIKey of 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide?
The InChIKey is GUDXLMPMSBPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO5P/c1-10(2)12(15)13-4-6-18-8-7-17-5-3-11(14)9-19-16/h1,3-9H2,2H3,(H,13,15).
What are the key properties of 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide has a molecular weight of 289.27 g/mol, XLogP of 0.96, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 121359437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).