1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea

C23H24N2O3 — CID 42698044

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESCOc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)Cc1ccco1
InChIInChI=1S/C23H24N2O3/c1-18(15-19-9-4-3-5-10-19)16-25(17-20-11-8-14-28-20)23(26)24-21-12-6-7-13-22(21)27-2/h3-15H,16-17H2,1-2H3,(H,24,26)/b18-15+
InChIKeyMCDUTXFFANFRAN-OBGWFSINSA-N
MW376.46 g/mol
LogP5.43
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (PubChem CID 42698044) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
PubChem CID42698044
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESCOc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)Cc1ccco1
InChIInChI=1S/C23H24N2O3/c1-18(15-19-9-4-3-5-10-19)16-25(17-20-11-8-14-28-20)23(26)24-21-12-6-7-13-22(21)27-2/h3-15H,16-17H2,1-2H3,(H,24,26)/b18-15+
InChIKeyMCDUTXFFANFRAN-OBGWFSINSA-N
XLogP5.43
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-naphthalen-1-ylurea
CID 42698041
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277
ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697663
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 5437642
2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 8501196
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 3984362
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 4205237
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 652316

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (CID 42698044) is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is COc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The InChIKey is MCDUTXFFANFRAN-OBGWFSINSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-18(15-19-9-4-3-5-10-19)16-25(17-20-11-8-14-28-20)23(26)24-21-12-6-7-13-22(21)27-2/h3-15H,16-17H2,1-2H3,(H,24,26)/b18-15+.
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea has a molecular weight of 376.46 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42698044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).