N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide

C21H37N3O7 — CID 134600783

IUPACN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
SMILESC=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC=C
InChIInChI=1S/C21H37N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3-4H,1-2,5-18H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyRJCZMRNSCFAINI-UHFFFAOYSA-N
MW443.54 g/mol
LogP-0.06
Rot. Bonds22

About N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide

N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide (PubChem CID 134600783) has the molecular formula C21H37N3O7 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
PubChem CID134600783
Molecular FormulaC21H37N3O7
Molecular Weight443.54 g/mol
Exact Mass443.26
IUPAC NameN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
SMILESC=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC=C
InChIInChI=1S/C21H37N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3-4H,1-2,5-18H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyRJCZMRNSCFAINI-UHFFFAOYSA-N
XLogP-0.06
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The IUPAC name of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide (CID 134600783) is N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide.
What is the SMILES notation for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The canonical SMILES for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide is C=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC=C.
What is the InChIKey of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The InChIKey is RJCZMRNSCFAINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3-4H,1-2,5-18H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide has a molecular weight of 443.54 g/mol, XLogP of -0.06, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide is sourced from PubChem (CID 134600783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).