1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

C17H22N2O5 — CID 113217080

IUPAC1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-21-14-9-12(10-15(22-2)16(14)23-3)6-7-18-17(20)19-11-13-5-4-8-24-13/h4-5,8-10H,6-7,11H2,1-3H3,(H2,18,19,20)
InChIKeyRYBSIMGWKFSGAW-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.35
Rot. Bonds8

About 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217080) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217080
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-21-14-9-12(10-15(22-2)16(14)23-3)6-7-18-17(20)19-11-13-5-4-8-24-13/h4-5,8-10H,6-7,11H2,1-3H3,(H2,18,19,20)
InChIKeyRYBSIMGWKFSGAW-UHFFFAOYSA-N
XLogP2.35
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 113179129
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 113217080) is 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(CCNC(=O)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is RYBSIMGWKFSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-21-14-9-12(10-15(22-2)16(14)23-3)6-7-18-17(20)19-11-13-5-4-8-24-13/h4-5,8-10H,6-7,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 334.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).