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

C20H33N3O6 — CID 89419367

IUPACN-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(CC)(COCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C20H33N3O6/c1-5-17(24)21-9-12-27-15-20(8-4,29-14-11-23-19(26)7-3)16-28-13-10-22-18(25)6-2/h5-7H,1-3,8-16H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCFRNXJAOCQWDTF-UHFFFAOYSA-N
MW411.50 g/mol
LogP0.09
Rot. Bonds18

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

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide (PubChem CID 89419367) has the molecular formula C20H33N3O6 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide
PubChem CID89419367
Molecular FormulaC20H33N3O6
Molecular Weight411.50 g/mol
Exact Mass411.24
IUPAC NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(CC)(COCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C20H33N3O6/c1-5-17(24)21-9-12-27-15-20(8-4,29-14-11-23-19(26)7-3)16-28-13-10-22-18(25)6-2/h5-7H,1-3,8-16H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCFRNXJAOCQWDTF-UHFFFAOYSA-N
XLogP0.09
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide (CID 89419367) is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCC(CC)(COCCNC(=O)C=C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide?
The InChIKey is CFRNXJAOCQWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O6/c1-5-17(24)21-9-12-27-15-20(8-4,29-14-11-23-19(26)7-3)16-28-13-10-22-18(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-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide has a molecular weight of 411.50 g/mol, XLogP of 0.09, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]butoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 89419367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).