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

C21H24N2O3 — CID 55930468

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O3/c1-15-8-4-6-10-18(15)25-13-12-22-21(24)23(3)16(2)20-14-17-9-5-7-11-19(17)26-20/h4-11,14,16H,12-13H2,1-3H3,(H,22,24)
InChIKeyDGEMOBQMZIHZDK-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.52
Rot. Bonds6

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

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 55930468) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID55930468
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O3/c1-15-8-4-6-10-18(15)25-13-12-22-21(24)23(3)16(2)20-14-17-9-5-7-11-19(17)26-20/h4-11,14,16H,12-13H2,1-3H3,(H,22,24)
InChIKeyDGEMOBQMZIHZDK-UHFFFAOYSA-N
XLogP4.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
CID 112969805
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea (CID 55930468) is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCNC(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is DGEMOBQMZIHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-4-6-10-18(15)25-13-12-22-21(24)23(3)16(2)20-14-17-9-5-7-11-19(17)26-20/h4-11,14,16H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 352.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 55930468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).