1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

C17H22N2O5 — CID 90605304

IUPAC1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)Cc2ccco2)c(OC)c1
InChIInChI=1S/C17H22N2O5/c1-17(21,10-13-5-4-8-24-13)11-18-16(20)19-14-7-6-12(22-2)9-15(14)23-3/h4-9,21H,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyOUFDQUWMZPIRBS-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.41
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (PubChem CID 90605304) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
PubChem CID90605304
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)Cc2ccco2)c(OC)c1
InChIInChI=1S/C17H22N2O5/c1-17(21,10-13-5-4-8-24-13)11-18-16(20)19-14-7-6-12(22-2)9-15(14)23-3/h4-9,21H,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyOUFDQUWMZPIRBS-UHFFFAOYSA-N
XLogP2.41
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (CID 90605304) is 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is COc1ccc(NC(=O)NCC(C)(O)Cc2ccco2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The InChIKey is OUFDQUWMZPIRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(21,10-13-5-4-8-24-13)11-18-16(20)19-14-7-6-12(22-2)9-15(14)23-3/h4-9,21H,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea has a molecular weight of 334.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 90605304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).