3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea

C25H28N2O3 — CID 42703414

IUPAC3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1cccc(Oc2ccccc2)c1)CC(C)C
InChIInChI=1S/C25H28N2O3/c1-19(2)17-27(25(28)26-23-14-7-8-15-24(23)29-3)18-20-10-9-13-22(16-20)30-21-11-5-4-6-12-21/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyZVPKZNKOKKUJON-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.18
Rot. Bonds8

About 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea

3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea (PubChem CID 42703414) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
PubChem CID42703414
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1cccc(Oc2ccccc2)c1)CC(C)C
InChIInChI=1S/C25H28N2O3/c1-19(2)17-27(25(28)26-23-14-7-8-15-24(23)29-3)18-20-10-9-13-22(16-20)30-21-11-5-4-6-12-21/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyZVPKZNKOKKUJON-UHFFFAOYSA-N
XLogP6.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
[3-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5151865
[3-[[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4088813
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
[3-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4078062
[3-[[(2-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
CID 3430824
1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703287
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277
1-benzyl-3-(2,4-dimethoxyphenyl)-1-(2-methylpropyl)thiourea
CID 4110555
3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 42702973
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467453

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea (CID 42703414) is 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea is COc1ccccc1NC(=O)N(Cc1cccc(Oc2ccccc2)c1)CC(C)C.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is ZVPKZNKOKKUJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(2)17-27(25(28)26-23-14-7-8-15-24(23)29-3)18-20-10-9-13-22(16-20)30-21-11-5-4-6-12-21/h4-16,19H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea?
3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 404.51 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 42703414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).