2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

About 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 138748213) has the molecular formula C22H43N3O11 and a molecular weight of 525.60 g/mol. Its IUPAC name is 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name	2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID	138748213
Molecular Formula	C22H43N3O11
Molecular Weight	525.60 g/mol
Exact Mass	525.29
IUPAC Name	2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILES	CNC(=O)CCOCCOCCOCCOC(=O)NCCOCCOCCOCCOCCC(N)=O
InChI	InChI=1S/C22H43N3O11/c1-24-21(27)3-6-30-9-12-33-16-17-35-18-19-36-22(28)25-4-7-31-10-13-34-15-14-32-11-8-29-5-2-20(23)26/h2-19H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKey	UWWHJEKTBKZFNC-UHFFFAOYSA-N
XLogP	-1.16
TPSA	175.13 Å²
H-Bond Donors	3
H-Bond Acceptors	11
Rotatable Bonds	27
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.60
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 138748213) is 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CNC(=O)CCOCCOCCOCCOC(=O)NCCOCCOCCOCCOCCC(N)=O.

What is the InChIKey of 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is UWWHJEKTBKZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O11/c1-24-21(27)3-6-30-9-12-33-16-17-35-18-19-36-22(28)25-4-7-31-10-13-34-15-14-32-11-8-29-5-2-20(23)26/h2-19H2,1H3,(H2,23,26)(H,24,27)(H,25,28).

What are the key properties of 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 525.60 g/mol, XLogP of -1.16, 27 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 138748213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).