[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate

C18H28NO5P — CID 24950976

IUPAC[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H28NO5P/c1-22-25(21,23-2)24-17(14-13-15-9-5-3-6-10-15)18(20)19-16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3,(H,19,20)
InChIKeyYRJWWHPRVBLCFB-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.85
Rot. Bonds9

About [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate

[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate (PubChem CID 24950976) has the molecular formula C18H28NO5P and a molecular weight of 369.40 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate
PubChem CID24950976
Molecular FormulaC18H28NO5P
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(CCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H28NO5P/c1-22-25(21,23-2)24-17(14-13-15-9-5-3-6-10-15)18(20)19-16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3,(H,19,20)
InChIKeyYRJWWHPRVBLCFB-UHFFFAOYSA-N
XLogP3.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate?
The IUPAC name of [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate (CID 24950976) is [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate is COP(=O)(OC)OC(CCc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate?
The InChIKey is YRJWWHPRVBLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NO5P/c1-22-25(21,23-2)24-17(14-13-15-9-5-3-6-10-15)18(20)19-16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3,(H,19,20).
What are the key properties of [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate?
[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate has a molecular weight of 369.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate is sourced from PubChem (CID 24950976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).