3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea

C12H16N2O2 — CID 115604588

IUPAC3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1COc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-3-14(2)12(15)13-10-8-16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,13,15)
InChIKeyRSLIOEPCLOILDZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.78
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea

3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea (PubChem CID 115604588) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
PubChem CID115604588
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1COc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-3-14(2)12(15)13-10-8-16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,13,15)
InChIKeyRSLIOEPCLOILDZ-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 94867438
3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981686
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 97001820
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 97016848
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea (CID 115604588) is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea is CCN(C)C(=O)NC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea?
The InChIKey is RSLIOEPCLOILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14(2)12(15)13-10-8-16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea?
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea has a molecular weight of 220.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea is sourced from PubChem (CID 115604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).