(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid

C15H25N2O6P — CID 70979475

IUPAC(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCOc1cc(CO[P@](O)N(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H25N2O6P/c1-10(2)16(11(3)4)24(20)23-9-12-7-14(21-5)15(22-6)8-13(12)17(18)19/h7-8,10-11,20H,9H2,1-6H3/t24-/m0/s1
InChIKeyPGFWAGXHCHWUDI-DEOSSOPVSA-N
MW360.35 g/mol
LogP3.47
Rot. Bonds9

About (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid

(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 70979475) has the molecular formula C15H25N2O6P and a molecular weight of 360.35 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID70979475
Molecular FormulaC15H25N2O6P
Molecular Weight360.35 g/mol
Exact Mass360.15
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCOc1cc(CO[P@](O)N(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H25N2O6P/c1-10(2)16(11(3)4)24(20)23-9-12-7-14(21-5)15(22-6)8-13(12)17(18)19/h7-8,10-11,20H,9H2,1-6H3/t24-/m0/s1
InChIKeyPGFWAGXHCHWUDI-DEOSSOPVSA-N
XLogP3.47
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
(2S)-2-amino-4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-4-oxobutanoic acid
CID 118912666
sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
CID 155726894
(4,5-dimethoxy-2-nitrophenyl)methyl carbamoperoxoate
CID 155576632
1-(4,5-dimethoxy-2-nitrophenyl)-4-methylpentan-2-ol
CID 83008622
bis((4,5-dimethoxy-2-nitrophenyl)methyl propanoate);methane
CID 160819658
(4,5-dimethoxy-2-nitrophenyl)methyl N-methylcarbamate;ethane
CID 170600738
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3-methylbutan-2-one
CID 59707797
1-methoxy-5-(methoxymethyl)-2-(4-methylpentoxy)-4-nitrobenzene
CID 156841575
methyl (2S)-2-amino-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]propanoate
CID 135564323
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
N-[(4,5-dimethoxy-2-nitrophenyl)methyl]propan-2-amine;oxalic acid
CID 90486184

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 70979475) is (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid is COc1cc(CO[P@](O)N(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is PGFWAGXHCHWUDI-DEOSSOPVSA-N. The full InChI is InChI=1S/C15H25N2O6P/c1-10(2)16(11(3)4)24(20)23-9-12-7-14(21-5)15(22-6)8-13(12)17(18)19/h7-8,10-11,20H,9H2,1-6H3/t24-/m0/s1.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid?
(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 360.35 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 70979475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).