1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

C17H22N2O4 — CID 111475157

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)23-13-8-6-12(7-9-13)19-16(21)18-11-14(20)15-5-4-10-22-15/h4-10,14,20H,11H2,1-3H3,(H2,18,19,21)
InChIKeyXFRFQJRKHZDINQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.31
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (PubChem CID 111475157) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
PubChem CID111475157
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)23-13-8-6-12(7-9-13)19-16(21)18-11-14(20)15-5-4-10-22-15/h4-10,14,20H,11H2,1-3H3,(H2,18,19,21)
InChIKeyXFRFQJRKHZDINQ-UHFFFAOYSA-N
XLogP3.31
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
butyl 4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 86993724
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86994318
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78874508
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (CID 111475157) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is CC(C)(C)Oc1ccc(NC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The InChIKey is XFRFQJRKHZDINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,3)23-13-8-6-12(7-9-13)19-16(21)18-11-14(20)15-5-4-10-22-15/h4-10,14,20H,11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea has a molecular weight of 318.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is sourced from PubChem (CID 111475157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).