N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide

C26H29N2O6P — CID 3302290

IUPACN-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(C(NC(=O)CN2CCOCC2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C26H29N2O6P/c1-31-22-14-12-21(13-15-22)26(27-25(29)20-28-16-18-32-19-17-28)35(30,33-23-8-4-2-5-9-23)34-24-10-6-3-7-11-24/h2-15,26H,16-20H2,1H3,(H,27,29)
InChIKeyPCIYATSTYKJPQX-UHFFFAOYSA-N
MW496.50 g/mol
LogP4.49
Rot. Bonds10

About N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide

N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide (PubChem CID 3302290) has the molecular formula C26H29N2O6P and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
PubChem CID3302290
Molecular FormulaC26H29N2O6P
Molecular Weight496.50 g/mol
Exact Mass496.18
IUPAC NameN-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(C(NC(=O)CN2CCOCC2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C26H29N2O6P/c1-31-22-14-12-21(13-15-22)26(27-25(29)20-28-16-18-32-19-17-28)35(30,33-23-8-4-2-5-9-23)34-24-10-6-3-7-11-24/h2-15,26H,16-20H2,1H3,(H,27,29)
InChIKeyPCIYATSTYKJPQX-UHFFFAOYSA-N
XLogP4.49
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide
CID 5010848
3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
CID 175939782
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 25359698
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[2-[(2-morpholin-4-ylacetyl)amino]butanoylamino]propanoate
CID 177001664
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915

Frequently Asked Questions

What is the IUPAC name of N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide (CID 3302290) is N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide is COc1ccc(C(NC(=O)CN2CCOCC2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The InChIKey is PCIYATSTYKJPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2O6P/c1-31-22-14-12-21(13-15-22)26(27-25(29)20-28-16-18-32-19-17-28)35(30,33-23-8-4-2-5-9-23)34-24-10-6-3-7-11-24/h2-15,26H,16-20H2,1H3,(H,27,29).
What are the key properties of N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide has a molecular weight of 496.50 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3302290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).