1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C17H22N2O3 — CID 43061447

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-11(14-8-5-9-21-14)18-17(20)19-12(2)16-10-13-6-3-4-7-15(13)22-16/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyWTOQHVLWUQKRBP-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 43061447) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID43061447
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-11(14-8-5-9-21-14)18-17(20)19-12(2)16-10-13-6-3-4-7-15(13)22-16/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyWTOQHVLWUQKRBP-UHFFFAOYSA-N
XLogP3.36
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 43061447) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NC(C)C1CCCO1)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is WTOQHVLWUQKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(14-8-5-9-21-14)18-17(20)19-12(2)16-10-13-6-3-4-7-15(13)22-16/h3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 302.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 43061447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).