1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea

C19H26N2O4 — CID 111504080

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccc(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O4/c1-5-16(14-7-9-15(24-4)10-8-14)21-18(22)20-12-19(3,23)17-11-6-13(2)25-17/h6-11,16,23H,5,12H2,1-4H3,(H2,20,21,22)
InChIKeyZLTLXYHFXMPIEO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 111504080) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID111504080
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccc(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O4/c1-5-16(14-7-9-15(24-4)10-8-14)21-18(22)20-12-19(3,23)17-11-6-13(2)25-17/h6-11,16,23H,5,12H2,1-4H3,(H2,20,21,22)
InChIKeyZLTLXYHFXMPIEO-UHFFFAOYSA-N
XLogP3.25
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea with MolForge

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea (CID 111504080) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)NCC(C)(O)c1ccc(C)o1)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is ZLTLXYHFXMPIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-16(14-7-9-15(24-4)10-8-14)21-18(22)20-12-19(3,23)17-11-6-13(2)25-17/h6-11,16,23H,5,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 111504080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).