2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate

C18H29N3O8 — CID 59811767

IUPAC2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H29N3O8/c1-26-11-14-29-18(25)20-7-10-28-13-12-27-9-6-19-15(22)3-2-8-21-16(23)4-5-17(21)24/h4-5H,2-3,6-14H2,1H3,(H,19,22)(H,20,25)
InChIKeyDFWVKTROBMYEAZ-UHFFFAOYSA-N
MW415.44 g/mol
LogP-0.79
Rot. Bonds16

About 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate

2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 59811767) has the molecular formula C18H29N3O8 and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
PubChem CID59811767
Molecular FormulaC18H29N3O8
Molecular Weight415.44 g/mol
Exact Mass415.20
IUPAC Name2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H29N3O8/c1-26-11-14-29-18(25)20-7-10-28-13-12-27-9-6-19-15(22)3-2-8-21-16(23)4-5-17(21)24/h4-5H,2-3,6-14H2,1H3,(H,19,22)(H,20,25)
InChIKeyDFWVKTROBMYEAZ-UHFFFAOYSA-N
XLogP-0.79
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate (CID 59811767) is 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate is COCCOC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is DFWVKTROBMYEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O8/c1-26-11-14-29-18(25)20-7-10-28-13-12-27-9-6-19-15(22)3-2-8-21-16(23)4-5-17(21)24/h4-5H,2-3,6-14H2,1H3,(H,19,22)(H,20,25).
What are the key properties of 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate?
2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 415.44 g/mol, XLogP of -0.79, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 59811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).