N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide

C11H18N2O4 — CID 54150359

IUPACN-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCOCCNC(=O)C=C
InChIInChI=1S/C11H18N2O4/c1-3-10(14)12-5-7-16-9-17-8-6-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)
InChIKeyOHHCNMKIVWOHPT-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.42
Rot. Bonds10

About N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide

N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide (PubChem CID 54150359) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
PubChem CID54150359
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCOCCNC(=O)C=C
InChIInChI=1S/C11H18N2O4/c1-3-10(14)12-5-7-16-9-17-8-6-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)
InChIKeyOHHCNMKIVWOHPT-UHFFFAOYSA-N
XLogP-0.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
CID 102279284
N-(2-(1-(allyloxy)ethoxy)ethyl)acrylamide
CID 132577956
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231
N-(1,1-dipropoxybutan-2-yl)prop-2-enamide
CID 19376153
N-(2,2-dipentoxyethyl)prop-2-enamide
CID 19746540
2-(Prop-2-enoylamino)ethyl prop-2-ynyl carbonate
CID 19774716

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide (CID 54150359) is N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCOCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide?
The InChIKey is OHHCNMKIVWOHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-10(14)12-5-7-16-9-17-8-6-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide?
N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide has a molecular weight of 242.27 g/mol, XLogP of -0.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 54150359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).