ethyl N-(3-morpholin-4-ylpropyl)carbamate

C10H20N2O3 — CID 3613249

IUPACethyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H20N2O3/c1-2-15-10(13)11-4-3-5-12-6-8-14-9-7-12/h2-9H2,1H3,(H,11,13)
InChIKeyXKTZOFSEXQWYHA-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.45
Rot. Bonds5

About ethyl N-(3-morpholin-4-ylpropyl)carbamate

ethyl N-(3-morpholin-4-ylpropyl)carbamate (PubChem CID 3613249) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl N-(3-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-morpholin-4-ylpropyl)carbamate
PubChem CID3613249
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H20N2O3/c1-2-15-10(13)11-4-3-5-12-6-8-14-9-7-12/h2-9H2,1H3,(H,11,13)
InChIKeyXKTZOFSEXQWYHA-UHFFFAOYSA-N
XLogP0.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-morpholin-4-ylpropyl)carbamate?
The IUPAC name of ethyl N-(3-morpholin-4-ylpropyl)carbamate (CID 3613249) is ethyl N-(3-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for ethyl N-(3-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for ethyl N-(3-morpholin-4-ylpropyl)carbamate is CCOC(=O)NCCCN1CCOCC1.
What is the InChIKey of ethyl N-(3-morpholin-4-ylpropyl)carbamate?
The InChIKey is XKTZOFSEXQWYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-15-10(13)11-4-3-5-12-6-8-14-9-7-12/h2-9H2,1H3,(H,11,13).
What are the key properties of ethyl N-(3-morpholin-4-ylpropyl)carbamate?
ethyl N-(3-morpholin-4-ylpropyl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 3613249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).