[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid

C10H16N3O7P — CID 19764431

IUPAC[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
SMILESCOc1cc(OC)c(NC(=O)NNP(=O)(O)O)c(OC)c1
InChIInChI=1S/C10H16N3O7P/c1-18-6-4-7(19-2)9(8(5-6)20-3)11-10(14)12-13-21(15,16)17/h4-5H,1-3H3,(H2,11,12,14)(H3,13,15,16,17)
InChIKeyRYJKSZOYUILZMR-UHFFFAOYSA-N
MW321.23 g/mol
LogP0.43
Rot. Bonds6

About [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid

[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid (PubChem CID 19764431) has the molecular formula C10H16N3O7P and a molecular weight of 321.23 g/mol. Its IUPAC name is [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid.

Molecular Properties

Compound Name[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
PubChem CID19764431
Molecular FormulaC10H16N3O7P
Molecular Weight321.23 g/mol
Exact Mass321.07
IUPAC Name[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
SMILESCOc1cc(OC)c(NC(=O)NNP(=O)(O)O)c(OC)c1
InChIInChI=1S/C10H16N3O7P/c1-18-6-4-7(19-2)9(8(5-6)20-3)11-10(14)12-13-21(15,16)17/h4-5H,1-3H3,(H2,11,12,14)(H3,13,15,16,17)
InChIKeyRYJKSZOYUILZMR-UHFFFAOYSA-N
XLogP0.43
TPSA138.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea
CID 57239868
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
CID 10851307
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
CID 115141187
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid?
The IUPAC name of [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid (CID 19764431) is [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid.
What is the SMILES notation for [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid?
The canonical SMILES for [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid is COc1cc(OC)c(NC(=O)NNP(=O)(O)O)c(OC)c1.
What is the InChIKey of [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid?
The InChIKey is RYJKSZOYUILZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O7P/c1-18-6-4-7(19-2)9(8(5-6)20-3)11-10(14)12-13-21(15,16)17/h4-5H,1-3H3,(H2,11,12,14)(H3,13,15,16,17).
What are the key properties of [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid?
[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid has a molecular weight of 321.23 g/mol, XLogP of 0.43, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid is sourced from PubChem (CID 19764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).