N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide

C21H37N3O7 — CID 88530492

IUPACN-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
SMILESC=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)COCCNC(=O)CC
InChIInChI=1S/C21H37N3O7/c1-5-18(25)22-8-11-29-15-21(14-28-4,16-30-12-9-23-19(26)6-2)17-31-13-10-24-20(27)7-3/h5-6H,1-2,7-17H2,3-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFGIDUHVDQVUFFG-UHFFFAOYSA-N
MW443.54 g/mol
LogP-0.20
Rot. Bonds20

About N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide

N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide (PubChem CID 88530492) has the molecular formula C21H37N3O7 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
PubChem CID88530492
Molecular FormulaC21H37N3O7
Molecular Weight443.54 g/mol
Exact Mass443.26
IUPAC NameN-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
SMILESC=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)COCCNC(=O)CC
InChIInChI=1S/C21H37N3O7/c1-5-18(25)22-8-11-29-15-21(14-28-4,16-30-12-9-23-19(26)6-2)17-31-13-10-24-20(27)7-3/h5-6H,1-2,7-17H2,3-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFGIDUHVDQVUFFG-UHFFFAOYSA-N
XLogP-0.20
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 5-0.20
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)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide (CID 88530492) is N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide is C=CC(=O)NCCOCC(COC)(COCCNC(=O)C=C)COCCNC(=O)CC.
What is the InChIKey of N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The InChIKey is FGIDUHVDQVUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O7/c1-5-18(25)22-8-11-29-15-21(14-28-4,16-30-12-9-23-19(26)6-2)17-31-13-10-24-20(27)7-3/h5-6H,1-2,7-17H2,3-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide has a molecular weight of 443.54 g/mol, XLogP of -0.20, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methoxymethyl)-3-[2-(prop-2-enoylamino)ethoxy]-2-[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide is sourced from PubChem (CID 88530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).