N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide

C20H33N3O7 — CID 90320605

IUPACN-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C20H33N3O7/c1-5-17(24)21-8-11-28-15-20(14-27-4,30-13-10-23-19(26)7-3)16-29-12-9-22-18(25)6-2/h5-7H,1-3,8-16H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZTESXFOQUYLMPN-UHFFFAOYSA-N
MW427.50 g/mol
LogP-0.67
Rot. Bonds19

About N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide

N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide (PubChem CID 90320605) has the molecular formula C20H33N3O7 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
PubChem CID90320605
Molecular FormulaC20H33N3O7
Molecular Weight427.50 g/mol
Exact Mass427.23
IUPAC NameN-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C20H33N3O7/c1-5-17(24)21-8-11-28-15-20(14-27-4,30-13-10-23-19(26)7-3)16-29-12-9-22-18(25)6-2/h5-7H,1-3,8-16H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZTESXFOQUYLMPN-UHFFFAOYSA-N
XLogP-0.67
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide (CID 90320605) is N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The InChIKey is ZTESXFOQUYLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O7/c1-5-17(24)21-8-11-28-15-20(14-27-4,30-13-10-23-19(26)7-3)16-29-12-9-22-18(25)6-2/h5-7H,1-3,8-16H2,4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide has a molecular weight of 427.50 g/mol, XLogP of -0.67, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methoxymethyl)-2,3-bis[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 90320605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).