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

C10H16N2O4 — CID 58454461

IUPACN-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(OC)C(NC(=O)C=C)OC
InChIInChI=1S/C10H16N2O4/c1-5-7(13)11-9(15-3)10(16-4)12-8(14)6-2/h5-6,9-10H,1-2H2,3-4H3,(H,11,13)(H,12,14)
InChIKeyNWYICFASANNAHF-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.46
Rot. Bonds7

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

N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 58454461) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID58454461
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(OC)C(NC(=O)C=C)OC
InChIInChI=1S/C10H16N2O4/c1-5-7(13)11-9(15-3)10(16-4)12-8(14)6-2/h5-6,9-10H,1-2H2,3-4H3,(H,11,13)(H,12,14)
InChIKeyNWYICFASANNAHF-UHFFFAOYSA-N
XLogP-0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,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
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-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231
N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
CID 19756748
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793
CID 21285028
CID 21285028
N-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 42636001

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide (CID 58454461) is N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide is C=CC(=O)NC(OC)C(NC(=O)C=C)OC.
What is the InChIKey of N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is NWYICFASANNAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5-7(13)11-9(15-3)10(16-4)12-8(14)6-2/h5-6,9-10H,1-2H2,3-4H3,(H,11,13)(H,12,14).
What are the key properties of N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide?
N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dimethoxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 58454461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).