cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate

C19H35N2O5P — CID 123600330

IUPACcyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
SMILESCC(NP(C)(=O)NC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C19H35N2O5P/c1-14(18(22)25-16-10-6-4-7-11-16)20-27(3,24)21-15(2)19(23)26-17-12-8-5-9-13-17/h14-17H,4-13H2,1-3H3,(H2,20,21,24)
InChIKeyWHNIOLFIEYIEHG-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.52
Rot. Bonds8

About cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate

cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate (PubChem CID 123600330) has the molecular formula C19H35N2O5P and a molecular weight of 402.47 g/mol. Its IUPAC name is cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
PubChem CID123600330
Molecular FormulaC19H35N2O5P
Molecular Weight402.47 g/mol
Exact Mass402.23
IUPAC Namecyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
SMILESCC(NP(C)(=O)NC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C19H35N2O5P/c1-14(18(22)25-16-10-6-4-7-11-16)20-27(3,24)21-15(2)19(23)26-17-12-8-5-9-13-17/h14-17H,4-13H2,1-3H3,(H2,20,21,24)
InChIKeyWHNIOLFIEYIEHG-UHFFFAOYSA-N
XLogP3.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate with MolForge

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Related Compounds

cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
CID 90251497
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 59853405
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
CID 134255610
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835329
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate (CID 123600330) is cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate is CC(NP(C)(=O)NC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate?
The InChIKey is WHNIOLFIEYIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2O5P/c1-14(18(22)25-16-10-6-4-7-11-16)20-27(3,24)21-15(2)19(23)26-17-12-8-5-9-13-17/h14-17H,4-13H2,1-3H3,(H2,20,21,24).
What are the key properties of cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate?
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate has a molecular weight of 402.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate is sourced from PubChem (CID 123600330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).