ethyl N-(3,3-diethoxypropyl)carbamate

C10H21NO4 — CID 54366821

IUPACethyl N-(3,3-diethoxypropyl)carbamate
SMILESCCOC(=O)NCCC(OCC)OCC
InChIInChI=1S/C10H21NO4/c1-4-13-9(14-5-2)7-8-11-10(12)15-6-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyUQJINKCNWOCKBP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.52
Rot. Bonds8

About ethyl N-(3,3-diethoxypropyl)carbamate

ethyl N-(3,3-diethoxypropyl)carbamate (PubChem CID 54366821) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl N-(3,3-diethoxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,3-diethoxypropyl)carbamate
PubChem CID54366821
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethyl N-(3,3-diethoxypropyl)carbamate
SMILESCCOC(=O)NCCC(OCC)OCC
InChIInChI=1S/C10H21NO4/c1-4-13-9(14-5-2)7-8-11-10(12)15-6-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyUQJINKCNWOCKBP-UHFFFAOYSA-N
XLogP1.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,3-diethoxypropyl)carbamate?
The IUPAC name of ethyl N-(3,3-diethoxypropyl)carbamate (CID 54366821) is ethyl N-(3,3-diethoxypropyl)carbamate.
What is the SMILES notation for ethyl N-(3,3-diethoxypropyl)carbamate?
The canonical SMILES for ethyl N-(3,3-diethoxypropyl)carbamate is CCOC(=O)NCCC(OCC)OCC.
What is the InChIKey of ethyl N-(3,3-diethoxypropyl)carbamate?
The InChIKey is UQJINKCNWOCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-13-9(14-5-2)7-8-11-10(12)15-6-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of ethyl N-(3,3-diethoxypropyl)carbamate?
ethyl N-(3,3-diethoxypropyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,3-diethoxypropyl)carbamate is sourced from PubChem (CID 54366821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).