1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea

C21H22N2O4 — CID 55684243

IUPAC1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2cccc(COCc3ccco3)c2)c1
InChIInChI=1S/C21H22N2O4/c1-25-19-8-3-7-18(12-19)23-21(24)22-13-16-5-2-6-17(11-16)14-26-15-20-9-4-10-27-20/h2-12H,13-15H2,1H3,(H2,22,23,24)
InChIKeyJJGMBJIUTDKMNZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.33
Rot. Bonds8

About 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea

1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea (PubChem CID 55684243) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
PubChem CID55684243
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2cccc(COCc3ccco3)c2)c1
InChIInChI=1S/C21H22N2O4/c1-25-19-8-3-7-18(12-19)23-21(24)22-13-16-5-2-6-17(11-16)14-26-15-20-9-4-10-27-20/h2-12H,13-15H2,1H3,(H2,22,23,24)
InChIKeyJJGMBJIUTDKMNZ-UHFFFAOYSA-N
XLogP4.33
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222705
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea (CID 55684243) is 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCc2cccc(COCc3ccco3)c2)c1.
What is the InChIKey of 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is JJGMBJIUTDKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-19-8-3-7-18(12-19)23-21(24)22-13-16-5-2-6-17(11-16)14-26-15-20-9-4-10-27-20/h2-12H,13-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea?
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 366.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 55684243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).