2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate

C9H13NO4 — CID 79345496

IUPAC2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCCO)c1ccco1
InChIInChI=1S/C9H13NO4/c1-7(8-3-2-5-13-8)10-9(12)14-6-4-11/h2-3,5,7,11H,4,6H2,1H3,(H,10,12)
InChIKeyMRZSZCGFWDBRPX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.06
Rot. Bonds4

About 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate

2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate (PubChem CID 79345496) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
PubChem CID79345496
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCCO)c1ccco1
InChIInChI=1S/C9H13NO4/c1-7(8-3-2-5-13-8)10-9(12)14-6-4-11/h2-3,5,7,11H,4,6H2,1H3,(H,10,12)
InChIKeyMRZSZCGFWDBRPX-UHFFFAOYSA-N
XLogP1.06
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
CID 144595697
2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate (CID 79345496) is 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate is CC(NC(=O)OCCO)c1ccco1.
What is the InChIKey of 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate?
The InChIKey is MRZSZCGFWDBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-7(8-3-2-5-13-8)10-9(12)14-6-4-11/h2-3,5,7,11H,4,6H2,1H3,(H,10,12).
What are the key properties of 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate?
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate is sourced from PubChem (CID 79345496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).