[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid

C14H19N2O6P — CID 71687823

IUPAC[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid
SMILESCc1ccc(C(=O)NC(C(=O)N2CCOCC2)P(=O)(O)O)cc1
InChIInChI=1S/C14H19N2O6P/c1-10-2-4-11(5-3-10)12(17)15-13(23(19,20)21)14(18)16-6-8-22-9-7-16/h2-5,13H,6-9H2,1H3,(H,15,17)(H2,19,20,21)
InChIKeyIJWCKYGOVOFMFW-UHFFFAOYSA-N
MW342.29 g/mol
LogP0.09
Rot. Bonds4

About [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid

[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid (PubChem CID 71687823) has the molecular formula C14H19N2O6P and a molecular weight of 342.29 g/mol. Its IUPAC name is [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid
PubChem CID71687823
Molecular FormulaC14H19N2O6P
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid
SMILESCc1ccc(C(=O)NC(C(=O)N2CCOCC2)P(=O)(O)O)cc1
InChIInChI=1S/C14H19N2O6P/c1-10-2-4-11(5-3-10)12(17)15-13(23(19,20)21)14(18)16-6-8-22-9-7-16/h2-5,13H,6-9H2,1H3,(H,15,17)(H2,19,20,21)
InChIKeyIJWCKYGOVOFMFW-UHFFFAOYSA-N
XLogP0.09
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid?
The IUPAC name of [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid (CID 71687823) is [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid?
The canonical SMILES for [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid is Cc1ccc(C(=O)NC(C(=O)N2CCOCC2)P(=O)(O)O)cc1.
What is the InChIKey of [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid?
The InChIKey is IJWCKYGOVOFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O6P/c1-10-2-4-11(5-3-10)12(17)15-13(23(19,20)21)14(18)16-6-8-22-9-7-16/h2-5,13H,6-9H2,1H3,(H,15,17)(H2,19,20,21).
What are the key properties of [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid?
[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid has a molecular weight of 342.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 71687823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).