2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid

C16H33NO8 — CID 123981606

IUPAC2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
SMILESCCCOCCOCCOCCOCCOCCOCCNC(=O)O
InChIInChI=1S/C16H33NO8/c1-2-4-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-21-5-3-17-16(18)19/h17H,2-15H2,1H3,(H,18,19)
InChIKeyNEPXXLVULWHGJS-UHFFFAOYSA-N
MW367.44 g/mol
LogP0.76
Rot. Bonds20

About 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid

2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 123981606) has the molecular formula C16H33NO8 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
PubChem CID123981606
Molecular FormulaC16H33NO8
Molecular Weight367.44 g/mol
Exact Mass367.22
IUPAC Name2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
SMILESCCCOCCOCCOCCOCCOCCOCCNC(=O)O
InChIInChI=1S/C16H33NO8/c1-2-4-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-21-5-3-17-16(18)19/h17H,2-15H2,1H3,(H,18,19)
InChIKeyNEPXXLVULWHGJS-UHFFFAOYSA-N
XLogP0.76
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid (CID 123981606) is 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid is CCCOCCOCCOCCOCCOCCOCCNC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is NEPXXLVULWHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO8/c1-2-4-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-21-5-3-17-16(18)19/h17H,2-15H2,1H3,(H,18,19).
What are the key properties of 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 367.44 g/mol, XLogP of 0.76, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 123981606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).