2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate

C13H19NO4 — CID 79345361

IUPAC2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
SMILESCC1CC1c1ccc(CN(C)C(=O)OCCO)o1
InChIInChI=1S/C13H19NO4/c1-9-7-11(9)12-4-3-10(18-12)8-14(2)13(16)17-6-5-15/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyYOXSGLFAOVTXHS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.96
Rot. Bonds5

About 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate

2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate (PubChem CID 79345361) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
PubChem CID79345361
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
SMILESCC1CC1c1ccc(CN(C)C(=O)OCCO)o1
InChIInChI=1S/C13H19NO4/c1-9-7-11(9)12-4-3-10(18-12)8-14(2)13(16)17-6-5-15/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyYOXSGLFAOVTXHS-UHFFFAOYSA-N
XLogP1.96
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate (CID 79345361) is 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate is CC1CC1c1ccc(CN(C)C(=O)OCCO)o1.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate?
The InChIKey is YOXSGLFAOVTXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-7-11(9)12-4-3-10(18-12)8-14(2)13(16)17-6-5-15/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate?
2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate is sourced from PubChem (CID 79345361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).