1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea

C29H26N2O4 — CID 42697710

IUPAC1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccco2)Cc2c3ccccc3cc3ccccc23)c(OC)c1
InChIInChI=1S/C29H26N2O4/c1-33-22-13-14-27(28(17-22)34-2)30-29(32)31(18-23-10-7-15-35-23)19-26-24-11-5-3-8-20(24)16-21-9-4-6-12-25(21)26/h3-17H,18-19H2,1-2H3,(H,30,32)
InChIKeyGXPFQTKADAXCQB-UHFFFAOYSA-N
MW466.54 g/mol
LogP6.84
Rot. Bonds7

About 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea

1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea (PubChem CID 42697710) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea
PubChem CID42697710
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccco2)Cc2c3ccccc3cc3ccccc23)c(OC)c1
InChIInChI=1S/C29H26N2O4/c1-33-22-13-14-27(28(17-22)34-2)30-29(32)31(18-23-10-7-15-35-23)19-26-24-11-5-3-8-20(24)16-21-9-4-6-12-25(21)26/h3-17H,18-19H2,1-2H3,(H,30,32)
InChIKeyGXPFQTKADAXCQB-UHFFFAOYSA-N
XLogP6.84
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)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

3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430604
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 652316
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 1140378
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea
CID 91832714
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea (CID 42697710) is 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea is COc1ccc(NC(=O)N(Cc2ccco2)Cc2c3ccccc3cc3ccccc23)c(OC)c1.
What is the InChIKey of 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea?
The InChIKey is GXPFQTKADAXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-33-22-13-14-27(28(17-22)34-2)30-29(32)31(18-23-10-7-15-35-23)19-26-24-11-5-3-8-20(24)16-21-9-4-6-12-25(21)26/h3-17H,18-19H2,1-2H3,(H,30,32).
What are the key properties of 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea?
1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea has a molecular weight of 466.54 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 42697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).