[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid

C11H15N2O4P — CID 22215219

IUPAC[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
SMILESCP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySKPSAZLQAGOHTP-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.46
Rot. Bonds3

About [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid

[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid (PubChem CID 22215219) has the molecular formula C11H15N2O4P and a molecular weight of 270.23 g/mol. Its IUPAC name is [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid.

Molecular Properties

Compound Name[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
PubChem CID22215219
Molecular FormulaC11H15N2O4P
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
SMILESCP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySKPSAZLQAGOHTP-UHFFFAOYSA-N
XLogP2.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
CID 43146327
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-(2-methoxyethyl)-3-methyl-1-phenylurea
CID 143444649
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
hydroxymethyl(phenyl)carbamic acid
CID 69165687
1,3-bis(1,1,2,2,2-pentadeuterioethyl)-1,3-diphenylurea
CID 139024055
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-phenylurea
CID 108911461
tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
CID 20978317
N-(bromomethyl)-N-phenylacetamide
CID 67904201
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849

Frequently Asked Questions

What is the IUPAC name of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The IUPAC name of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid (CID 22215219) is [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid.
What is the SMILES notation for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The canonical SMILES for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid is CP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1.
What is the InChIKey of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The InChIKey is SKPSAZLQAGOHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid has a molecular weight of 270.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid is sourced from PubChem (CID 22215219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).