N-dimorpholin-4-ylphosphoryl-4-methylaniline

C30H48N6O6P2 — CID 139064039

IUPACN-dimorpholin-4-ylphosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1.Cc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/2C15H24N3O3P/c2*1-14-2-4-15(5-3-14)16-22(19,17-6-10-20-11-7-17)18-8-12-21-13-9-18/h2*2-5H,6-13H2,1H3,(H,16,19)
InChIKeyZHKBOFJCARHYLN-UHFFFAOYSA-N
MW650.70 g/mol
LogP4.36
Rot. Bonds8

About N-dimorpholin-4-ylphosphoryl-4-methylaniline

N-dimorpholin-4-ylphosphoryl-4-methylaniline (PubChem CID 139064039) has the molecular formula C30H48N6O6P2 and a molecular weight of 650.70 g/mol. Its IUPAC name is N-dimorpholin-4-ylphosphoryl-4-methylaniline.

Molecular Properties

Compound NameN-dimorpholin-4-ylphosphoryl-4-methylaniline
PubChem CID139064039
Molecular FormulaC30H48N6O6P2
Molecular Weight650.70 g/mol
Exact Mass650.31
IUPAC NameN-dimorpholin-4-ylphosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1.Cc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/2C15H24N3O3P/c2*1-14-2-4-15(5-3-14)16-22(19,17-6-10-20-11-7-17)18-8-12-21-13-9-18/h2*2-5H,6-13H2,1H3,(H,16,19)
InChIKeyZHKBOFJCARHYLN-UHFFFAOYSA-N
XLogP4.36
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.70
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-dimorpholin-4-ylphosphoryl-4-methylaniline 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

ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
CID 13381631
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-(tert-butyl-morpholin-4-yl-phenyl-λ5-phosphanylidene)-3-(4-methylphenyl)thiourea
CID 4595013
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-methyl-2-morpholin-4-ylethanamine;N-(4-methylphenyl)formamide
CID 143489582
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid
CID 71687823
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine
CID 59290014
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661

Frequently Asked Questions

What is the IUPAC name of N-dimorpholin-4-ylphosphoryl-4-methylaniline?
The IUPAC name of N-dimorpholin-4-ylphosphoryl-4-methylaniline (CID 139064039) is N-dimorpholin-4-ylphosphoryl-4-methylaniline.
What is the SMILES notation for N-dimorpholin-4-ylphosphoryl-4-methylaniline?
The canonical SMILES for N-dimorpholin-4-ylphosphoryl-4-methylaniline is Cc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1.Cc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of N-dimorpholin-4-ylphosphoryl-4-methylaniline?
The InChIKey is ZHKBOFJCARHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N3O3P/c2*1-14-2-4-15(5-3-14)16-22(19,17-6-10-20-11-7-17)18-8-12-21-13-9-18/h2*2-5H,6-13H2,1H3,(H,16,19).
What are the key properties of N-dimorpholin-4-ylphosphoryl-4-methylaniline?
N-dimorpholin-4-ylphosphoryl-4-methylaniline has a molecular weight of 650.70 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimorpholin-4-ylphosphoryl-4-methylaniline is sourced from PubChem (CID 139064039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).