1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea

C18H24N2O3 — CID 111504031

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3/c1-4-15(14-9-7-13(2)8-10-14)20-17(21)19-12-18(3,22)16-6-5-11-23-16/h5-11,15,22H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyNHSBYLUJLJJPFB-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea (PubChem CID 111504031) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
PubChem CID111504031
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3/c1-4-15(14-9-7-13(2)8-10-14)20-17(21)19-12-18(3,22)16-6-5-11-23-16/h5-11,15,22H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyNHSBYLUJLJJPFB-UHFFFAOYSA-N
XLogP3.25
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(1S)-1-(2-methoxyphenyl)propyl]urea
CID 97219041
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111504080
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
CID 111504028
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea (CID 111504031) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea is CCC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea?
The InChIKey is NHSBYLUJLJJPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-15(14-9-7-13(2)8-10-14)20-17(21)19-12-18(3,22)16-6-5-11-23-16/h5-11,15,22H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 111504031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).