3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea

C14H23N2O4P — CID 10781532

IUPAC3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
SMILESCCOP(=O)(CN(C)C(=O)NCc1ccccc1)OCC
InChIInChI=1S/C14H23N2O4P/c1-4-19-21(18,20-5-2)12-16(3)14(17)15-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,15,17)
InChIKeyGJUVYNVMFORAMV-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.05
Rot. Bonds8

About 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea

3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea (PubChem CID 10781532) has the molecular formula C14H23N2O4P and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
PubChem CID10781532
Molecular FormulaC14H23N2O4P
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Name3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
SMILESCCOP(=O)(CN(C)C(=O)NCc1ccccc1)OCC
InChIInChI=1S/C14H23N2O4P/c1-4-19-21(18,20-5-2)12-16(3)14(17)15-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,15,17)
InChIKeyGJUVYNVMFORAMV-UHFFFAOYSA-N
XLogP3.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
CID 107653273
methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
CID 12711206
N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide
CID 2872148
3-benzyl-1-[[4-(diethylamino)phenyl]methyl]-1-methylurea
CID 24664576
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea?
The IUPAC name of 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea (CID 10781532) is 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea.
What is the SMILES notation for 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea?
The canonical SMILES for 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea is CCOP(=O)(CN(C)C(=O)NCc1ccccc1)OCC.
What is the InChIKey of 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea?
The InChIKey is GJUVYNVMFORAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O4P/c1-4-19-21(18,20-5-2)12-16(3)14(17)15-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,15,17).
What are the key properties of 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea?
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea has a molecular weight of 314.32 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea is sourced from PubChem (CID 10781532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).