1-benzyl-1-methyl-3-(phenoxymethyl)urea

C16H18N2O2 — CID 108888867

IUPAC1-benzyl-1-methyl-3-(phenoxymethyl)urea
SMILESCN(Cc1ccccc1)C(=O)NCOc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(12-14-8-4-2-5-9-14)16(19)17-13-20-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)
InChIKeyUNNZHBXJQBOYLZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.86
Rot. Bonds5

About 1-benzyl-1-methyl-3-(phenoxymethyl)urea

1-benzyl-1-methyl-3-(phenoxymethyl)urea (PubChem CID 108888867) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(phenoxymethyl)urea
PubChem CID108888867
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-benzyl-1-methyl-3-(phenoxymethyl)urea
SMILESCN(Cc1ccccc1)C(=O)NCOc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(12-14-8-4-2-5-9-14)16(19)17-13-20-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)
InChIKeyUNNZHBXJQBOYLZ-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.86
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-3-(phenoxymethyl)-1-phenylurea
CID 108888948
1-benzyl-3-[(2-ethoxyphenoxy)methyl]-1-methylurea
CID 108877231
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
1-benzyl-3-[2-(3-bromophenoxy)ethyl]-1-methylurea
CID 112971158
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
CID 108888950
3-amino-1-benzyl-1-methylurea
CID 43163959
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(phenoxymethyl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(phenoxymethyl)urea (CID 108888867) is 1-benzyl-1-methyl-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(phenoxymethyl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(phenoxymethyl)urea is CN(Cc1ccccc1)C(=O)NCOc1ccccc1.
What is the InChIKey of 1-benzyl-1-methyl-3-(phenoxymethyl)urea?
The InChIKey is UNNZHBXJQBOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(12-14-8-4-2-5-9-14)16(19)17-13-20-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19).
What are the key properties of 1-benzyl-1-methyl-3-(phenoxymethyl)urea?
1-benzyl-1-methyl-3-(phenoxymethyl)urea has a molecular weight of 270.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).