2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate

C17H26NO6P — CID 139470564

IUPAC2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate
SMILESCCOP(=O)(OCCc1ccc(C(C)=O)cc1)OCN1CCOCC1
InChIInChI=1S/C17H26NO6P/c1-3-22-25(20,24-14-18-9-12-21-13-10-18)23-11-8-16-4-6-17(7-5-16)15(2)19/h4-7H,3,8-14H2,1-2H3
InChIKeyKUGGPCZCHACTBI-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.90
Rot. Bonds10

About 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate

2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate (PubChem CID 139470564) has the molecular formula C17H26NO6P and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate.

Molecular Properties

Compound Name2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate
PubChem CID139470564
Molecular FormulaC17H26NO6P
Molecular Weight371.37 g/mol
Exact Mass371.15
IUPAC Name2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate
SMILESCCOP(=O)(OCCc1ccc(C(C)=O)cc1)OCN1CCOCC1
InChIInChI=1S/C17H26NO6P/c1-3-22-25(20,24-14-18-9-12-21-13-10-18)23-11-8-16-4-6-17(7-5-16)15(2)19/h4-7H,3,8-14H2,1-2H3
InChIKeyKUGGPCZCHACTBI-UHFFFAOYSA-N
XLogP2.90
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine
CID 59290014
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate?
The IUPAC name of 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate (CID 139470564) is 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate.
What is the SMILES notation for 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate?
The canonical SMILES for 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate is CCOP(=O)(OCCc1ccc(C(C)=O)cc1)OCN1CCOCC1.
What is the InChIKey of 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate?
The InChIKey is KUGGPCZCHACTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NO6P/c1-3-22-25(20,24-14-18-9-12-21-13-10-18)23-11-8-16-4-6-17(7-5-16)15(2)19/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate?
2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate has a molecular weight of 371.37 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate is sourced from PubChem (CID 139470564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).