N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

C20H32N5O5P — CID 3102214

IUPACN'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
SMILESCOc1ccc(NC(=NP(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C20H32N5O5P/c1-27-19-4-2-18(3-5-19)21-20(23-6-12-28-13-7-23)22-31(26,24-8-14-29-15-9-24)25-10-16-30-17-11-25/h2-5H,6-17H2,1H3,(H,21,22,26)
InChIKeyWUFHJSSWHPCPIW-UHFFFAOYSA-N
MW453.48 g/mol
LogP1.57
Rot. Bonds5

About N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide (PubChem CID 3102214) has the molecular formula C20H32N5O5P and a molecular weight of 453.48 g/mol. Its IUPAC name is N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
PubChem CID3102214
Molecular FormulaC20H32N5O5P
Molecular Weight453.48 g/mol
Exact Mass453.21
IUPAC NameN'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
SMILESCOc1ccc(NC(=NP(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C20H32N5O5P/c1-27-19-4-2-18(3-5-19)21-20(23-6-12-28-13-7-23)22-31(26,24-8-14-29-15-9-24)25-10-16-30-17-11-25/h2-5H,6-17H2,1H3,(H,21,22,26)
InChIKeyWUFHJSSWHPCPIW-UHFFFAOYSA-N
XLogP1.57
TPSA88.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide 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

(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 40542048
4-[(4-methoxyphenoxy)-morpholin-4-ylphosphoryl]morpholine
CID 3693433
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
1-(tert-butyl-morpholin-4-yl-phenyl-λ5-phosphanylidene)-3-(4-methoxyphenyl)thiourea
CID 23820411
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154

Frequently Asked Questions

What is the IUPAC name of N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide (CID 3102214) is N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide is COc1ccc(NC(=NP(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide?
The InChIKey is WUFHJSSWHPCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N5O5P/c1-27-19-4-2-18(3-5-19)21-20(23-6-12-28-13-7-23)22-31(26,24-8-14-29-15-9-24)25-10-16-30-17-11-25/h2-5H,6-17H2,1H3,(H,21,22,26).
What are the key properties of N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide?
N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide has a molecular weight of 453.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 3102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).