1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea

C20H27N2O4P — CID 3503064

IUPAC1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCOP(=O)(Cc1ccc(NC(=O)NCc2ccc(C)cc2)cc1)OCC
InChIInChI=1S/C20H27N2O4P/c1-4-25-27(24,26-5-2)15-18-10-12-19(13-11-18)22-20(23)21-14-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,23)
InChIKeySNBYOZCAYUQGEO-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.08
Rot. Bonds9

About 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea

1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 3503064) has the molecular formula C20H27N2O4P and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID3503064
Molecular FormulaC20H27N2O4P
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCOP(=O)(Cc1ccc(NC(=O)NCc2ccc(C)cc2)cc1)OCC
InChIInChI=1S/C20H27N2O4P/c1-4-25-27(24,26-5-2)15-18-10-12-19(13-11-18)22-20(23)21-14-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,23)
InChIKeySNBYOZCAYUQGEO-UHFFFAOYSA-N
XLogP5.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 3503064) is 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea is CCOP(=O)(Cc1ccc(NC(=O)NCc2ccc(C)cc2)cc1)OCC.
What is the InChIKey of 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is SNBYOZCAYUQGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N2O4P/c1-4-25-27(24,26-5-2)15-18-10-12-19(13-11-18)22-20(23)21-14-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 390.42 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 3503064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).