[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

C30H30NO5P — CID 10301386

IUPAC[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCCCC1
InChIInChI=1S/C30H30NO5P/c1-31(23-14-3-2-4-15-23)30(33)27-19-22-12-6-5-11-21(22)18-26(27)28(32)29(37(34,35)36)25-17-9-13-20-10-7-8-16-24(20)25/h5-13,16-19,23,29H,2-4,14-15H2,1H3,(H2,34,35,36)
InChIKeyFSLBGHJRBLKWAU-UHFFFAOYSA-N
MW515.55 g/mol
LogP6.50
Rot. Bonds6

About [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (PubChem CID 10301386) has the molecular formula C30H30NO5P and a molecular weight of 515.55 g/mol. Its IUPAC name is [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
PubChem CID10301386
Molecular FormulaC30H30NO5P
Molecular Weight515.55 g/mol
Exact Mass515.19
IUPAC Name[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCCCC1
InChIInChI=1S/C30H30NO5P/c1-31(23-14-3-2-4-15-23)30(33)27-19-22-12-6-5-11-21(22)18-26(27)28(32)29(37(34,35)36)25-17-9-13-20-10-7-8-16-24(20)25/h5-13,16-19,23,29H,2-4,14-15H2,1H3,(H2,34,35,36)
InChIKeyFSLBGHJRBLKWAU-UHFFFAOYSA-N
XLogP6.50
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-[methyl-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 10169105
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide
CID 160794706
[2-[3-[(1-acetylpiperidin-4-yl)methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 67095650
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
acetic acid;N-methyl-4-phenylcyclohex-3-en-1-amine;[2-[[3-[methyl-(4-phenylcyclohex-3-en-1-yl)carbamoyl]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid;4-phenylcyclohex-3-en-1-one
CID 161346177
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
[2-[[3-(benzylcarbamoyl)naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66678345
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66677543
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593

Frequently Asked Questions

What is the IUPAC name of [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (CID 10301386) is [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCCCC1.
What is the InChIKey of [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The InChIKey is FSLBGHJRBLKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30NO5P/c1-31(23-14-3-2-4-15-23)30(33)27-19-22-12-6-5-11-21(22)18-26(27)28(32)29(37(34,35)36)25-17-9-13-20-10-7-8-16-24(20)25/h5-13,16-19,23,29H,2-4,14-15H2,1H3,(H2,34,35,36).
What are the key properties of [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
[2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid has a molecular weight of 515.55 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[cyclohexyl(methyl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 10301386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).