1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea

C17H22N2O3 — CID 86856166

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2cc(C)oc2C)cc1C
InChIInChI=1S/C17H22N2O3/c1-10-8-14(6-7-16(10)21-5)19-17(20)18-12(3)15-9-11(2)22-13(15)4/h6-9,12H,1-5H3,(H2,18,19,20)
InChIKeySBIKHUMILWEATD-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea (PubChem CID 86856166) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
PubChem CID86856166
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2cc(C)oc2C)cc1C
InChIInChI=1S/C17H22N2O3/c1-10-8-14(6-7-16(10)21-5)19-17(20)18-12(3)15-9-11(2)22-13(15)4/h6-9,12H,1-5H3,(H2,18,19,20)
InChIKeySBIKHUMILWEATD-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 97157167
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea (CID 86856166) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea is COc1ccc(NC(=O)NC(C)c2cc(C)oc2C)cc1C.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The InChIKey is SBIKHUMILWEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-8-14(6-7-16(10)21-5)19-17(20)18-12(3)15-9-11(2)22-13(15)4/h6-9,12H,1-5H3,(H2,18,19,20).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea has a molecular weight of 302.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea is sourced from PubChem (CID 86856166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).