propyl N-(4-hydroxybutyl)-N-methylcarbamate

C9H19NO3 — CID 22973782

IUPACpropyl N-(4-hydroxybutyl)-N-methylcarbamate
SMILESCCCOC(=O)N(C)CCCCO
InChIInChI=1S/C9H19NO3/c1-3-8-13-9(12)10(2)6-4-5-7-11/h11H,3-8H2,1-2H3
InChIKeyVCGOGCKJIRHHCS-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.24
Rot. Bonds6

About propyl N-(4-hydroxybutyl)-N-methylcarbamate

propyl N-(4-hydroxybutyl)-N-methylcarbamate (PubChem CID 22973782) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is propyl N-(4-hydroxybutyl)-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-(4-hydroxybutyl)-N-methylcarbamate
PubChem CID22973782
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namepropyl N-(4-hydroxybutyl)-N-methylcarbamate
SMILESCCCOC(=O)N(C)CCCCO
InChIInChI=1S/C9H19NO3/c1-3-8-13-9(12)10(2)6-4-5-7-11/h11H,3-8H2,1-2H3
InChIKeyVCGOGCKJIRHHCS-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of propyl N-(4-hydroxybutyl)-N-methylcarbamate?
The IUPAC name of propyl N-(4-hydroxybutyl)-N-methylcarbamate (CID 22973782) is propyl N-(4-hydroxybutyl)-N-methylcarbamate.
What is the SMILES notation for propyl N-(4-hydroxybutyl)-N-methylcarbamate?
The canonical SMILES for propyl N-(4-hydroxybutyl)-N-methylcarbamate is CCCOC(=O)N(C)CCCCO.
What is the InChIKey of propyl N-(4-hydroxybutyl)-N-methylcarbamate?
The InChIKey is VCGOGCKJIRHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-8-13-9(12)10(2)6-4-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of propyl N-(4-hydroxybutyl)-N-methylcarbamate?
propyl N-(4-hydroxybutyl)-N-methylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4-hydroxybutyl)-N-methylcarbamate is sourced from PubChem (CID 22973782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).