ethane;ethyl N-(2-propoxyethyl)carbamate

C10H23NO3 — CID 167457488

IUPACethane;ethyl N-(2-propoxyethyl)carbamate
SMILESCC.CCCOCCNC(=O)OCC
InChIInChI=1S/C8H17NO3.C2H6/c1-3-6-11-7-5-9-8(10)12-4-2;1-2/h3-7H2,1-2H3,(H,9,10);1-2H3
InChIKeyRJDJKVRMMKWXLX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.19
Rot. Bonds6

About ethane;ethyl N-(2-propoxyethyl)carbamate

ethane;ethyl N-(2-propoxyethyl)carbamate (PubChem CID 167457488) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;ethyl N-(2-propoxyethyl)carbamate.

Molecular Properties

Compound Nameethane;ethyl N-(2-propoxyethyl)carbamate
PubChem CID167457488
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameethane;ethyl N-(2-propoxyethyl)carbamate
SMILESCC.CCCOCCNC(=O)OCC
InChIInChI=1S/C8H17NO3.C2H6/c1-3-6-11-7-5-9-8(10)12-4-2;1-2/h3-7H2,1-2H3,(H,9,10);1-2H3
InChIKeyRJDJKVRMMKWXLX-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-propylcarbamate
CID 12199
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-ethylcarbamate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 163439656
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
azane;ethyl N-ethylcarbamate
CID 88547448
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-(2-propoxyethyl)carbamate?
The IUPAC name of ethane;ethyl N-(2-propoxyethyl)carbamate (CID 167457488) is ethane;ethyl N-(2-propoxyethyl)carbamate.
What is the SMILES notation for ethane;ethyl N-(2-propoxyethyl)carbamate?
The canonical SMILES for ethane;ethyl N-(2-propoxyethyl)carbamate is CC.CCCOCCNC(=O)OCC.
What is the InChIKey of ethane;ethyl N-(2-propoxyethyl)carbamate?
The InChIKey is RJDJKVRMMKWXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C2H6/c1-3-6-11-7-5-9-8(10)12-4-2;1-2/h3-7H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;ethyl N-(2-propoxyethyl)carbamate?
ethane;ethyl N-(2-propoxyethyl)carbamate has a molecular weight of 205.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-(2-propoxyethyl)carbamate is sourced from PubChem (CID 167457488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).