1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea

C23H24N2O2 — CID 108898350

IUPAC1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-14-8-13-21(15-22)16-24-23(26)25(17-19-9-4-2-5-10-19)18-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyCWBGGPDZBFDENM-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.61
Rot. Bonds7

About 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea

1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108898350) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108898350
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-14-8-13-21(15-22)16-24-23(26)25(17-19-9-4-2-5-10-19)18-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyCWBGGPDZBFDENM-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
CID 108898368
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea (CID 108898350) is 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is CWBGGPDZBFDENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-14-8-13-21(15-22)16-24-23(26)25(17-19-9-4-2-5-10-19)18-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,24,26).
What are the key properties of 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea?
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 360.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108898350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).