1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea

C16H20N2O3 — CID 111478738

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC(C)(O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(13-7-4-3-5-8-13)18-15(19)17-11-16(2,20)14-9-6-10-21-14/h3-10,12,20H,11H2,1-2H3,(H2,17,18,19)
InChIKeyXKYUYBDHUZUAIB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea (PubChem CID 111478738) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
PubChem CID111478738
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC(C)(O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(13-7-4-3-5-8-13)18-15(19)17-11-16(2,20)14-9-6-10-21-14/h3-10,12,20H,11H2,1-2H3,(H2,17,18,19)
InChIKeyXKYUYBDHUZUAIB-UHFFFAOYSA-N
XLogP2.55
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
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-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(1S)-1-(2-methoxyphenyl)propyl]urea
CID 97219041
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea (CID 111478738) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCC(C)(O)c1ccco1)c1ccccc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea?
The InChIKey is XKYUYBDHUZUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(13-7-4-3-5-8-13)18-15(19)17-11-16(2,20)14-9-6-10-21-14/h3-10,12,20H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.55, 5 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-phenylethyl)urea is sourced from PubChem (CID 111478738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).