N,N-bis(dimethylamino)-phenoxyphosphonamidic acid

C10H18N3O3P — CID 154221653

IUPACN,N-bis(dimethylamino)-phenoxyphosphonamidic acid
SMILESCN(C)N(N(C)C)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H18N3O3P/c1-11(2)13(12(3)4)17(14,15)16-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,14,15)
InChIKeyGVAHKUIKSVWISU-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.42
Rot. Bonds5

About N,N-bis(dimethylamino)-phenoxyphosphonamidic acid

N,N-bis(dimethylamino)-phenoxyphosphonamidic acid (PubChem CID 154221653) has the molecular formula C10H18N3O3P and a molecular weight of 259.25 g/mol. Its IUPAC name is N,N-bis(dimethylamino)-phenoxyphosphonamidic acid.

Molecular Properties

Compound NameN,N-bis(dimethylamino)-phenoxyphosphonamidic acid
PubChem CID154221653
Molecular FormulaC10H18N3O3P
Molecular Weight259.25 g/mol
Exact Mass259.11
IUPAC NameN,N-bis(dimethylamino)-phenoxyphosphonamidic acid
SMILESCN(C)N(N(C)C)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H18N3O3P/c1-11(2)13(12(3)4)17(14,15)16-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,14,15)
InChIKeyGVAHKUIKSVWISU-UHFFFAOYSA-N
XLogP1.42
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cesium phenyl hydrogen phosphate
CID 175568082
diphenyl hydrogen phosphate;silane
CID 175425543
diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
hydroxy phenyl hydrogen phosphate
CID 19103302
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
potassium diphenyl phosphate
CID 23671717

Frequently Asked Questions

What is the IUPAC name of N,N-bis(dimethylamino)-phenoxyphosphonamidic acid?
The IUPAC name of N,N-bis(dimethylamino)-phenoxyphosphonamidic acid (CID 154221653) is N,N-bis(dimethylamino)-phenoxyphosphonamidic acid.
What is the SMILES notation for N,N-bis(dimethylamino)-phenoxyphosphonamidic acid?
The canonical SMILES for N,N-bis(dimethylamino)-phenoxyphosphonamidic acid is CN(C)N(N(C)C)P(=O)(O)Oc1ccccc1.
What is the InChIKey of N,N-bis(dimethylamino)-phenoxyphosphonamidic acid?
The InChIKey is GVAHKUIKSVWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O3P/c1-11(2)13(12(3)4)17(14,15)16-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,14,15).
What are the key properties of N,N-bis(dimethylamino)-phenoxyphosphonamidic acid?
N,N-bis(dimethylamino)-phenoxyphosphonamidic acid has a molecular weight of 259.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(dimethylamino)-phenoxyphosphonamidic acid is sourced from PubChem (CID 154221653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).