cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate

C24H25ClNO4P — CID 87147629

IUPACcyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
SMILESO=C(OC1CCCCC1)C(NP(=O)(Cl)Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H25ClNO4P/c25-31(28,30-22-17-9-13-18-10-7-8-16-21(18)22)26-23(19-11-3-1-4-12-19)24(27)29-20-14-5-2-6-15-20/h1,3-4,7-13,16-17,20,23H,2,5-6,14-15H2,(H,26,28)
InChIKeyYOPROFPESZHHSZ-UHFFFAOYSA-N
MW457.89 g/mol
LogP6.77
Rot. Bonds7

About cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate

cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate (PubChem CID 87147629) has the molecular formula C24H25ClNO4P and a molecular weight of 457.89 g/mol. Its IUPAC name is cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate.

Molecular Properties

Compound Namecyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
PubChem CID87147629
Molecular FormulaC24H25ClNO4P
Molecular Weight457.89 g/mol
Exact Mass457.12
IUPAC Namecyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
SMILESO=C(OC1CCCCC1)C(NP(=O)(Cl)Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H25ClNO4P/c25-31(28,30-22-17-9-13-18-10-7-8-16-21(18)22)26-23(19-11-3-1-4-12-19)24(27)29-20-14-5-2-6-15-20/h1,3-4,7-13,16-17,20,23H,2,5-6,14-15H2,(H,26,28)
InChIKeyYOPROFPESZHHSZ-UHFFFAOYSA-N
XLogP6.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.89
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87148068
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
CID 11502299
cyclopentyl (2S)-2-[[1,3-dioxolan-2-ylmethoxy(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 130437776
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
dicyclohexyl 2-phenylpropanedioate
CID 130210180
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
cyclohexyl (2S)-2-[[[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 71600863
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87147881
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate?
The IUPAC name of cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate (CID 87147629) is cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate.
What is the SMILES notation for cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate?
The canonical SMILES for cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate is O=C(OC1CCCCC1)C(NP(=O)(Cl)Oc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate?
The InChIKey is YOPROFPESZHHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClNO4P/c25-31(28,30-22-17-9-13-18-10-7-8-16-21(18)22)26-23(19-11-3-1-4-12-19)24(27)29-20-14-5-2-6-15-20/h1,3-4,7-13,16-17,20,23H,2,5-6,14-15H2,(H,26,28).
What are the key properties of cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate?
cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate has a molecular weight of 457.89 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate is sourced from PubChem (CID 87147629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).