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

C25H42N4O8 — CID 58163416

IUPACN-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
SMILESC=CC(=O)NCCOCC(COCCNC(=O)C=C)(COCCNC(=O)C=C)COCCNC(=O)CC
InChIInChI=1S/C25H42N4O8/c1-5-21(30)26-9-13-34-17-25(18-35-14-10-27-22(31)6-2,19-36-15-11-28-23(32)7-3)20-37-16-12-29-24(33)8-4/h5-7H,1-3,8-20H2,4H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeySQZDGUUTRQDAKP-UHFFFAOYSA-N
MW526.63 g/mol
LogP-0.53
Rot. Bonds24

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

N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide (PubChem CID 58163416) has the molecular formula C25H42N4O8 and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
PubChem CID58163416
Molecular FormulaC25H42N4O8
Molecular Weight526.63 g/mol
Exact Mass526.30
IUPAC NameN-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide
SMILESC=CC(=O)NCCOCC(COCCNC(=O)C=C)(COCCNC(=O)C=C)COCCNC(=O)CC
InChIInChI=1S/C25H42N4O8/c1-5-21(30)26-9-13-34-17-25(18-35-14-10-27-22(31)6-2,19-36-15-11-28-23(32)7-3)20-37-16-12-29-24(33)8-4/h5-7H,1-3,8-20H2,4H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeySQZDGUUTRQDAKP-UHFFFAOYSA-N
XLogP-0.53
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The IUPAC name of N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide (CID 58163416) is N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide is C=CC(=O)NCCOCC(COCCNC(=O)C=C)(COCCNC(=O)C=C)COCCNC(=O)CC.
What is the InChIKey of N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
The InChIKey is SQZDGUUTRQDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O8/c1-5-21(30)26-9-13-34-17-25(18-35-14-10-27-22(31)6-2,19-36-15-11-28-23(32)7-3)20-37-16-12-29-24(33)8-4/h5-7H,1-3,8-20H2,4H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33).
What are the key properties of N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide?
N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide has a molecular weight of 526.63 g/mol, XLogP of -0.53, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(prop-2-enoylamino)ethoxy]-2,2-bis[2-(prop-2-enoylamino)ethoxymethyl]propoxy]ethyl]propanamide is sourced from PubChem (CID 58163416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).