2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C16H31NO8 — CID 58331196

IUPAC2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCOCCOCCCC=O
InChIInChI=1S/C16H31NO8/c1-20-8-15-25-16(19)17-4-7-22-10-12-24-14-13-23-11-9-21-6-3-2-5-18/h5H,2-4,6-15H2,1H3,(H,17,19)
InChIKeyLVVHLRGIYZFSEL-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.40
Rot. Bonds19

About 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 58331196) has the molecular formula C16H31NO8 and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID58331196
Molecular FormulaC16H31NO8
Molecular Weight365.42 g/mol
Exact Mass365.20
IUPAC Name2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCOCCOC(=O)NCCOCCOCCOCCOCCCC=O
InChIInChI=1S/C16H31NO8/c1-20-8-15-25-16(19)17-4-7-22-10-12-24-14-13-23-11-9-21-6-3-2-5-18/h5H,2-4,6-15H2,1H3,(H,17,19)
InChIKeyLVVHLRGIYZFSEL-UHFFFAOYSA-N
XLogP0.40
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
CID 58571150
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
9-hydroperoxyperoxynonyl N-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 87060453
ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-[6-(ethoxycarbonylamino)-1-oxo-1-[2-(4-oxobutoxy)ethylamino]hexan-2-yl]carbamate;formaldehyde;pentanedial
CID 90701699
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 58331196) is 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is COCCOC(=O)NCCOCCOCCOCCOCCCC=O.
What is the InChIKey of 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is LVVHLRGIYZFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO8/c1-20-8-15-25-16(19)17-4-7-22-10-12-24-14-13-23-11-9-21-6-3-2-5-18/h5H,2-4,6-15H2,1H3,(H,17,19).
What are the key properties of 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 365.42 g/mol, XLogP of 0.40, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 58331196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).