(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium

C24H23NO6P+ — CID 59408791

IUPAC(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
SMILESO=C(NC(CO[P+](=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22NO6P/c26-23(21-14-8-3-9-15-21)25-22(24(27)29-16-19-10-4-1-5-11-19)18-31-32(28)30-17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1
InChIKeySTDTYQNNCVQECL-UHFFFAOYSA-O
MW452.42 g/mol
LogP4.42
Rot. Bonds11

About (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium

(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium (PubChem CID 59408791) has the molecular formula C24H23NO6P+ and a molecular weight of 452.42 g/mol. Its IUPAC name is (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium.

Molecular Properties

Compound Name(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
PubChem CID59408791
Molecular FormulaC24H23NO6P+
Molecular Weight452.42 g/mol
Exact Mass452.13
IUPAC Name(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
SMILESO=C(NC(CO[P+](=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22NO6P/c26-23(21-14-8-3-9-15-21)25-22(24(27)29-16-19-10-4-1-5-11-19)18-31-32(28)30-17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1
InChIKeySTDTYQNNCVQECL-UHFFFAOYSA-O
XLogP4.42
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
benzyl 2-benzamido-3-hydroxybutanoate
CID 14420261
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium?
The IUPAC name of (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium (CID 59408791) is (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium.
What is the SMILES notation for (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium?
The canonical SMILES for (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium is O=C(NC(CO[P+](=O)OCc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium?
The InChIKey is STDTYQNNCVQECL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22NO6P/c26-23(21-14-8-3-9-15-21)25-22(24(27)29-16-19-10-4-1-5-11-19)18-31-32(28)30-17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1.
What are the key properties of (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium?
(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium has a molecular weight of 452.42 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 59408791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).