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

C9H18N2O3 — CID 3708671

IUPACmethyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-9(12)10-3-2-4-11-5-7-14-8-6-11/h2-8H2,1H3,(H,10,12)
InChIKeySLFYNHISYDQHRX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.06
Rot. Bonds4

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

methyl N-(3-morpholin-4-ylpropyl)carbamate (PubChem CID 3708671) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl N-(3-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-morpholin-4-ylpropyl)carbamate
PubChem CID3708671
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-9(12)10-3-2-4-11-5-7-14-8-6-11/h2-8H2,1H3,(H,10,12)
InChIKeySLFYNHISYDQHRX-UHFFFAOYSA-N
XLogP0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.06
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 methyl N-(3-morpholin-4-ylpropyl)carbamate?
The IUPAC name of methyl N-(3-morpholin-4-ylpropyl)carbamate (CID 3708671) is methyl N-(3-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for methyl N-(3-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for methyl N-(3-morpholin-4-ylpropyl)carbamate is COC(=O)NCCCN1CCOCC1.
What is the InChIKey of methyl N-(3-morpholin-4-ylpropyl)carbamate?
The InChIKey is SLFYNHISYDQHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-13-9(12)10-3-2-4-11-5-7-14-8-6-11/h2-8H2,1H3,(H,10,12).
What are the key properties of methyl N-(3-morpholin-4-ylpropyl)carbamate?
methyl N-(3-morpholin-4-ylpropyl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 3708671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).