N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

C12H21NO5 — CID 59966791

IUPACN-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCC(C)=O
InChIInChI=1S/C12H21NO5/c1-3-12(15)13-4-5-16-6-7-17-8-9-18-10-11(2)14/h3H,1,4-10H2,2H3,(H,13,15)
InChIKeyDMZUNNLROFRZBO-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.07
Rot. Bonds12

About N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 59966791) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID59966791
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC NameN-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCC(C)=O
InChIInChI=1S/C12H21NO5/c1-3-12(15)13-4-5-16-6-7-17-8-9-18-10-11(2)14/h3H,1,4-10H2,2H3,(H,13,15)
InChIKeyDMZUNNLROFRZBO-UHFFFAOYSA-N
XLogP-0.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.07
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'}

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Related Compounds

N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
2-butoxy-N-propylacrylamide
CID 85969592
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(2-methoxyethyl)-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 18721114
N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
CID 19756748
N-butyl-2-ethoxyprop-2-enamide
CID 20465482
13-Oxo-3,6,9-trioxa-12-azapentadec-14-en-1-oic acid
CID 20667275
Methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate
CID 20667282
N-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 42636001
N-[2-(2-ethoxyethoxy)ethyl]prop-2-enamide
CID 54052997

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 59966791) is N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCOCC(C)=O.
What is the InChIKey of N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is DMZUNNLROFRZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-12(15)13-4-5-16-6-7-17-8-9-18-10-11(2)14/h3H,1,4-10H2,2H3,(H,13,15).
What are the key properties of N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 259.30 g/mol, XLogP of -0.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 59966791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).