bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium

C32H30N4O9P+ — CID 118309538

IUPACbis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium
SMILESNC(=O)c1ccc(C(O[P+](=O)OC(c2ccc(C(N)=O)cc2)N(C=O)OCc2ccccc2)N(C=O)OCc2ccccc2)cc1
InChIInChI=1S/C32H29N4O9P/c33-29(39)25-11-15-27(16-12-25)31(35(21-37)42-19-23-7-3-1-4-8-23)44-46(41)45-32(28-17-13-26(14-18-28)30(34)40)36(22-38)43-20-24-9-5-2-6-10-24/h1-18,21-22,31-32H,19-20H2,(H3-,33,34,39,40)/p+1
InChIKeyQFZHNYXOXJQFGW-UHFFFAOYSA-O
MW645.59 g/mol
LogP4.45
Rot. Bonds18

About bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium

bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium (PubChem CID 118309538) has the molecular formula C32H30N4O9P+ and a molecular weight of 645.59 g/mol. Its IUPAC name is bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium
PubChem CID118309538
Molecular FormulaC32H30N4O9P+
Molecular Weight645.59 g/mol
Exact Mass645.17
IUPAC Namebis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium
SMILESNC(=O)c1ccc(C(O[P+](=O)OC(c2ccc(C(N)=O)cc2)N(C=O)OCc2ccccc2)N(C=O)OCc2ccccc2)cc1
InChIInChI=1S/C32H29N4O9P/c33-29(39)25-11-15-27(16-12-25)31(35(21-37)42-19-23-7-3-1-4-8-23)44-46(41)45-32(28-17-13-26(14-18-28)30(34)40)36(22-38)43-20-24-9-5-2-6-10-24/h1-18,21-22,31-32H,19-20H2,(H3-,33,34,39,40)/p+1
InChIKeyQFZHNYXOXJQFGW-UHFFFAOYSA-O
XLogP4.45
TPSA180.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 97050480
2-[5-[formyl(phenylmethoxy)amino]hexanoylamino]benzamide
CID 90833679
4-(2-phenylethyl)benzamide
CID 23130460
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
CID 123848169
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide
CID 87482906
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide
CID 16664685
N-methyl-N-phenylmethoxyformamide
CID 57089495
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
(2S)-2-amino-3-phenylpropanoic acid;benzene-1,4-dicarboxamide
CID 161287727

Frequently Asked Questions

What is the IUPAC name of bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium?
The IUPAC name of bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium (CID 118309538) is bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium.
What is the SMILES notation for bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium?
The canonical SMILES for bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium is NC(=O)c1ccc(C(O[P+](=O)OC(c2ccc(C(N)=O)cc2)N(C=O)OCc2ccccc2)N(C=O)OCc2ccccc2)cc1.
What is the InChIKey of bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium?
The InChIKey is QFZHNYXOXJQFGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H29N4O9P/c33-29(39)25-11-15-27(16-12-25)31(35(21-37)42-19-23-7-3-1-4-8-23)44-46(41)45-32(28-17-13-26(14-18-28)30(34)40)36(22-38)43-20-24-9-5-2-6-10-24/h1-18,21-22,31-32H,19-20H2,(H3-,33,34,39,40)/p+1.
What are the key properties of bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium?
bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium has a molecular weight of 645.59 g/mol, XLogP of 4.45, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium is sourced from PubChem (CID 118309538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).