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

C12H20N2O4 — CID 42636032

IUPACN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyUMVFOWMSJBWRMN-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.38
Rot. Bonds11

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

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 42636032) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID42636032
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCNC(=O)C=C
InChIInChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyUMVFOWMSJBWRMN-UHFFFAOYSA-N
XLogP-0.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-diacryloyl-4,7,10-trioxa-1,13-tridecanediamine
CID 11500839
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-[2-(2-hydroxyethoxy)ethyl]acrylamide
CID 19364541
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 91317844
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(17-azido-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914462
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411
N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}prop-2-enamide; trifluoroacetic acid
CID 178201502

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 42636032) is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is UMVFOWMSJBWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 256.30 g/mol, XLogP of -0.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 42636032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).