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

C18H24N2O4 — CID 111474071

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea
SMILESCOc1cc(C)ccc1NC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-15(16(8-11)23-5)20-17(21)19-10-18(4,22)14-9-12(2)24-13(14)3/h6-9,22H,10H2,1-5H3,(H2,19,20,21)
InChIKeyXFDOUIPAPLDNQE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.24
Rot. Bonds5

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

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea (PubChem CID 111474071) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea
PubChem CID111474071
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea
SMILESCOc1cc(C)ccc1NC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-15(16(8-11)23-5)20-17(21)19-10-18(4,22)14-9-12(2)24-13(14)3/h6-9,22H,10H2,1-5H3,(H2,19,20,21)
InChIKeyXFDOUIPAPLDNQE-UHFFFAOYSA-N
XLogP3.24
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(3-ethynylphenyl)urea
CID 111473538
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea (CID 111474071) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea is COc1cc(C)ccc1NC(=O)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea?
The InChIKey is XFDOUIPAPLDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-6-7-15(16(8-11)23-5)20-17(21)19-10-18(4,22)14-9-12(2)24-13(14)3/h6-9,22H,10H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 111474071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).