naphthalen-1-yl 2-(octanoylamino)ethyl phosphate

C20H27NO5P- — CID 18378437

IUPACnaphthalen-1-yl 2-(octanoylamino)ethyl phosphate
SMILESCCCCCCCC(=O)NCCOP(=O)([O-])Oc1cccc2ccccc12
InChIInChI=1S/C20H28NO5P/c1-2-3-4-5-6-14-20(22)21-15-16-25-27(23,24)26-19-13-9-11-17-10-7-8-12-18(17)19/h7-13H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/p-1
InChIKeyOMMJQRDZSBUVTC-UHFFFAOYSA-M
MW392.41 g/mol
LogP4.18
Rot. Bonds12

About naphthalen-1-yl 2-(octanoylamino)ethyl phosphate

naphthalen-1-yl 2-(octanoylamino)ethyl phosphate (PubChem CID 18378437) has the molecular formula C20H27NO5P- and a molecular weight of 392.41 g/mol. Its IUPAC name is naphthalen-1-yl 2-(octanoylamino)ethyl phosphate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-(octanoylamino)ethyl phosphate
PubChem CID18378437
Molecular FormulaC20H27NO5P-
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Namenaphthalen-1-yl 2-(octanoylamino)ethyl phosphate
SMILESCCCCCCCC(=O)NCCOP(=O)([O-])Oc1cccc2ccccc12
InChIInChI=1S/C20H28NO5P/c1-2-3-4-5-6-14-20(22)21-15-16-25-27(23,24)26-19-13-9-11-17-10-7-8-12-18(17)19/h7-13H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/p-1
InChIKeyOMMJQRDZSBUVTC-UHFFFAOYSA-M
XLogP4.18
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate
CID 18378300
disodium;2-(hexadecanoylamino)ethyl phosphate
CID 171618393
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
methyl 3-[hydroxy-[2-(octanoylamino)ethoxy]phosphoryl]oxybenzoate
CID 18378274
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
N-naphthalen-1-yldodecanamide
CID 588517
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-(octanoylamino)ethyl phosphate?
The IUPAC name of naphthalen-1-yl 2-(octanoylamino)ethyl phosphate (CID 18378437) is naphthalen-1-yl 2-(octanoylamino)ethyl phosphate.
What is the SMILES notation for naphthalen-1-yl 2-(octanoylamino)ethyl phosphate?
The canonical SMILES for naphthalen-1-yl 2-(octanoylamino)ethyl phosphate is CCCCCCCC(=O)NCCOP(=O)([O-])Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-(octanoylamino)ethyl phosphate?
The InChIKey is OMMJQRDZSBUVTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28NO5P/c1-2-3-4-5-6-14-20(22)21-15-16-25-27(23,24)26-19-13-9-11-17-10-7-8-12-18(17)19/h7-13H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of naphthalen-1-yl 2-(octanoylamino)ethyl phosphate?
naphthalen-1-yl 2-(octanoylamino)ethyl phosphate has a molecular weight of 392.41 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-(octanoylamino)ethyl phosphate is sourced from PubChem (CID 18378437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).