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

C19H31N3O8 — CID 126558194

IUPAC2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCNCC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O8/c1-27-11-14-30-19(26)21-7-10-29-13-12-28-9-6-20-15-16(23)3-2-8-22-17(24)4-5-18(22)25/h4-5,20H,2-3,6-15H2,1H3,(H,21,26)
InChIKeyNRFFLFIVXAJRBZ-UHFFFAOYSA-N
MW429.47 g/mol
LogP-0.74
Rot. Bonds18

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

2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 126558194) has the molecular formula C19H31N3O8 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate
PubChem CID126558194
Molecular FormulaC19H31N3O8
Molecular Weight429.47 g/mol
Exact Mass429.21
IUPAC Name2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCNCC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O8/c1-27-11-14-30-19(26)21-7-10-29-13-12-28-9-6-20-15-16(23)3-2-8-22-17(24)4-5-18(22)25/h4-5,20H,2-3,6-15H2,1H3,(H,21,26)
InChIKeyNRFFLFIVXAJRBZ-UHFFFAOYSA-N
XLogP-0.74
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide
CID 58253076
butyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
CID 58331220
2-methoxyethyl N-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]oxyethoxy]ethyl]carbamate
CID 58340972
2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxo-3-tritiosulfanyloxysulfanylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
CID 58341001
2-[2-[2-[2-[2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetyl]oxyethyl-methylamino]ethyl 2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetate
CID 59689043
2-[2-[2-[2-[2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetate
CID 59689045
2-[[2-[2-[2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetyl]oxy-(2-oxopropyl)amino]ethyl 2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetate
CID 59689060
2-[2-[2-[2-[2-[2-[2-(Butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 59770656
2-methoxyethyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
CID 59811767
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 89624261
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 89898686
tert-butyl N-[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]carbamate
CID 117963081

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 126558194) is 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate is COCCOC(=O)NCCOCCOCCNCC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is NRFFLFIVXAJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O8/c1-27-11-14-30-19(26)21-7-10-29-13-12-28-9-6-20-15-16(23)3-2-8-22-17(24)4-5-18(22)25/h4-5,20H,2-3,6-15H2,1H3,(H,21,26).
What are the key properties of 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate?
2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 429.47 g/mol, XLogP of -0.74, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 126558194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).