sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate

C19H25NNaO7P — CID 146077788

IUPACsodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate
SMILESCCOP(=O)([O-])C(Nc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1.[Na+]
InChIInChI=1S/C19H26NO7P.Na/c1-6-27-28(21,22)19(20-14-7-9-15(23-2)10-8-14)13-11-16(24-3)18(26-5)17(12-13)25-4;/h7-12,19-20H,6H2,1-5H3,(H,21,22);/q;+1/p-1
InChIKeyUQZFDTAXRLJFAC-UHFFFAOYSA-M
MW433.37 g/mol
LogP0.43
Rot. Bonds10

About sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate

sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate (PubChem CID 146077788) has the molecular formula C19H25NNaO7P and a molecular weight of 433.37 g/mol. Its IUPAC name is sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate.

Molecular Properties

Compound Namesodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate
PubChem CID146077788
Molecular FormulaC19H25NNaO7P
Molecular Weight433.37 g/mol
Exact Mass433.13
IUPAC Namesodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate
SMILESCCOP(=O)([O-])C(Nc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1.[Na+]
InChIInChI=1S/C19H26NO7P.Na/c1-6-27-28(21,22)19(20-14-7-9-15(23-2)10-8-14)13-11-16(24-3)18(26-5)17(12-13)25-4;/h7-12,19-20H,6H2,1-5H3,(H,21,22);/q;+1/p-1
InChIKeyUQZFDTAXRLJFAC-UHFFFAOYSA-M
XLogP0.43
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[dibutoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]aniline
CID 4672682
N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-methyl-3-nitroaniline
CID 21210724
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
sodium;ethoxy-[phenyl-(4-phenyldiazenylanilino)methyl]phosphinate;hydrate
CID 23696684
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-nitroaniline
CID 102356738
4-(2-chloro-1,1,2-trifluoroethoxy)-N-[di(propan-2-yloxy)phosphoryl-(3,4,5-trimethoxyphenyl)methyl]aniline
CID 21210744
N-[(2,4-dimethoxyphenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-methoxyaniline
CID 21210947
N-[(R)-diethoxyphosphoryl(1H-indol-3-yl)methyl]-4-methoxyaniline
CID 7034048
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
ethyl (2S)-2-[4-[[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 40733853
4-[[[diethoxy(methylidene)-λ5-phosphanyl]-(4-methoxyphenyl)methyl]amino]benzonitrile
CID 134830807
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875

Frequently Asked Questions

What is the IUPAC name of sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate?
The IUPAC name of sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate (CID 146077788) is sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate.
What is the SMILES notation for sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate?
The canonical SMILES for sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate is CCOP(=O)([O-])C(Nc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1.[Na+].
What is the InChIKey of sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate?
The InChIKey is UQZFDTAXRLJFAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26NO7P.Na/c1-6-27-28(21,22)19(20-14-7-9-15(23-2)10-8-14)13-11-16(24-3)18(26-5)17(12-13)25-4;/h7-12,19-20H,6H2,1-5H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate?
sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate has a molecular weight of 433.37 g/mol, XLogP of 0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxy-[(4-methoxyanilino)-(3,4,5-trimethoxyphenyl)methyl]phosphinate is sourced from PubChem (CID 146077788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).