3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C12H18N2O3 — CID 111424113

IUPAC3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-3-6-14(7-8-15)12(16)13-10(2)11-5-4-9-17-11/h3-5,9-10,15H,1,6-8H2,2H3,(H,13,16)
InChIKeyOJMXAIUVLXECCD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.53
Rot. Bonds6

About 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111424113) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111424113
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-3-6-14(7-8-15)12(16)13-10(2)11-5-4-9-17-11/h3-5,9-10,15H,1,6-8H2,2H3,(H,13,16)
InChIKeyOJMXAIUVLXECCD-UHFFFAOYSA-N
XLogP1.53
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424240
3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509179
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 115775719
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
CID 112831836
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111424113) is 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC(C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is OJMXAIUVLXECCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-6-14(7-8-15)12(16)13-10(2)11-5-4-9-17-11/h3-5,9-10,15H,1,6-8H2,2H3,(H,13,16).
What are the key properties of 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 238.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).