N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

C12H20N2O4 — CID 86099230

IUPACN-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)OCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-4-11(15)13-6-8-17-10(3)18-9-7-14-12(16)5-2/h4-5,10H,1-2,6-9H2,3H3,(H,13,15)(H,14,16)
InChIKeyUQSOSPBAKJENEV-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.03
Rot. Bonds10

About N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide

N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 86099230) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID86099230
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)OCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-4-11(15)13-6-8-17-10(3)18-9-7-14-12(16)5-2/h4-5,10H,1-2,6-9H2,3H3,(H,13,15)(H,14,16)
InChIKeyUQSOSPBAKJENEV-UHFFFAOYSA-N
XLogP-0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.03
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-[2-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 23167369
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
CID 102279284
N-(2-(1-(allyloxy)ethoxy)ethyl)acrylamide
CID 132577956
N-(2,2-diethoxyethyl)-N-methylprop-2-enamide
CID 13651922
N-(2,2-Diethoxy-1-hydroxyethyl)prop-2-enamide
CID 13982975
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
N-(4,4-diethoxybutyl)prop-2-enamide
CID 14008504
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(2-ethoxy-2-hydroxyethyl)prop-2-enamide
CID 18477248
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 86099230) is N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOC(C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is UQSOSPBAKJENEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-11(15)13-6-8-17-10(3)18-9-7-14-12(16)5-2/h4-5,10H,1-2,6-9H2,3H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 256.30 g/mol, XLogP of -0.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 86099230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).