1-benzyl-3-(phenoxymethyl)-1-phenylurea

C21H20N2O2 — CID 108888948

IUPAC1-benzyl-3-(phenoxymethyl)-1-phenylurea
SMILESO=C(NCOc1ccccc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(22-17-25-20-14-8-3-9-15-20)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,22,24)
InChIKeyCKOAHKFKVACUMM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.44
Rot. Bonds6

About 1-benzyl-3-(phenoxymethyl)-1-phenylurea

1-benzyl-3-(phenoxymethyl)-1-phenylurea (PubChem CID 108888948) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-benzyl-3-(phenoxymethyl)-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-(phenoxymethyl)-1-phenylurea
PubChem CID108888948
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-benzyl-3-(phenoxymethyl)-1-phenylurea
SMILESO=C(NCOc1ccccc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(22-17-25-20-14-8-3-9-15-20)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,22,24)
InChIKeyCKOAHKFKVACUMM-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-methyl-3-(phenoxymethyl)urea
CID 108888867
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
CID 108888950
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
CID 108874633

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(phenoxymethyl)-1-phenylurea?
The IUPAC name of 1-benzyl-3-(phenoxymethyl)-1-phenylurea (CID 108888948) is 1-benzyl-3-(phenoxymethyl)-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-(phenoxymethyl)-1-phenylurea?
The canonical SMILES for 1-benzyl-3-(phenoxymethyl)-1-phenylurea is O=C(NCOc1ccccc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-(phenoxymethyl)-1-phenylurea?
The InChIKey is CKOAHKFKVACUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(22-17-25-20-14-8-3-9-15-20)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,22,24).
What are the key properties of 1-benzyl-3-(phenoxymethyl)-1-phenylurea?
1-benzyl-3-(phenoxymethyl)-1-phenylurea has a molecular weight of 332.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(phenoxymethyl)-1-phenylurea is sourced from PubChem (CID 108888948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).