[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate

C13H19N2O6P — CID 175058324

IUPAC[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate
SMILESCCOP(=O)(CC(=O)Nc1ccccc1OC(N)=O)OCC
InChIInChI=1S/C13H19N2O6P/c1-3-19-22(18,20-4-2)9-12(16)15-10-7-5-6-8-11(10)21-13(14)17/h5-8H,3-4,9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyZUWPOSXNNDLRLD-UHFFFAOYSA-N
MW330.28 g/mol
LogP2.35
Rot. Bonds8

About [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate

[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate (PubChem CID 175058324) has the molecular formula C13H19N2O6P and a molecular weight of 330.28 g/mol. Its IUPAC name is [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate.

Molecular Properties

Compound Name[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate
PubChem CID175058324
Molecular FormulaC13H19N2O6P
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate
SMILESCCOP(=O)(CC(=O)Nc1ccccc1OC(N)=O)OCC
InChIInChI=1S/C13H19N2O6P/c1-3-19-22(18,20-4-2)9-12(16)15-10-7-5-6-8-11(10)21-13(14)17/h5-8H,3-4,9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyZUWPOSXNNDLRLD-UHFFFAOYSA-N
XLogP2.35
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-diethoxyphosphorylacetamide
CID 56955833
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
[2-(propanoylamino)phenyl] methanesulfonate
CID 117063581
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924

Frequently Asked Questions

What is the IUPAC name of [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate?
The IUPAC name of [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate (CID 175058324) is [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate.
What is the SMILES notation for [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate?
The canonical SMILES for [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate is CCOP(=O)(CC(=O)Nc1ccccc1OC(N)=O)OCC.
What is the InChIKey of [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate?
The InChIKey is ZUWPOSXNNDLRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O6P/c1-3-19-22(18,20-4-2)9-12(16)15-10-7-5-6-8-11(10)21-13(14)17/h5-8H,3-4,9H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate?
[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate has a molecular weight of 330.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate is sourced from PubChem (CID 175058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).