1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea

C18H24N2O4 — CID 111473769

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccccc2OC(C)C)o1
InChIInChI=1S/C18H24N2O4/c1-12(2)23-15-8-6-5-7-14(15)20-17(21)19-11-18(4,22)16-10-9-13(3)24-16/h5-10,12,22H,11H2,1-4H3,(H2,19,20,21)
InChIKeyKGISUTCVLWNYEL-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.40
Rot. Bonds6

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 111473769) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
PubChem CID111473769
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccccc2OC(C)C)o1
InChIInChI=1S/C18H24N2O4/c1-12(2)23-15-8-6-5-7-14(15)20-17(21)19-11-18(4,22)16-10-9-13(3)24-16/h5-10,12,22H,11H2,1-4H3,(H2,19,20,21)
InChIKeyKGISUTCVLWNYEL-UHFFFAOYSA-N
XLogP3.40
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473863
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473356
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea (CID 111473769) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea is Cc1ccc(C(C)(O)CNC(=O)Nc2ccccc2OC(C)C)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is KGISUTCVLWNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)23-15-8-6-5-7-14(15)20-17(21)19-11-18(4,22)16-10-9-13(3)24-16/h5-10,12,22H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 3.40, 6 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-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 111473769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).