[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

C24H20NO6P — CID 66677543

IUPAC[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCOC(=O)c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C24H20NO6P/c1-31-24(27)20-13-16-8-2-3-9-17(16)14-21(20)25-23(26)22(32(28,29)30)19-12-6-10-15-7-4-5-11-18(15)19/h2-14,22H,1H3,(H,25,26)(H2,28,29,30)
InChIKeyPCBGTEXNBUZHFR-UHFFFAOYSA-N
MW449.40 g/mol
LogP4.64
Rot. Bonds5

About [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (PubChem CID 66677543) has the molecular formula C24H20NO6P and a molecular weight of 449.40 g/mol. Its IUPAC name is [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
PubChem CID66677543
Molecular FormulaC24H20NO6P
Molecular Weight449.40 g/mol
Exact Mass449.10
IUPAC Name[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCOC(=O)c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C24H20NO6P/c1-31-24(27)20-13-16-8-2-3-9-17(16)14-21(20)25-23(26)22(32(28,29)30)19-12-6-10-15-7-4-5-11-18(15)19/h2-14,22H,1H3,(H,25,26)(H2,28,29,30)
InChIKeyPCBGTEXNBUZHFR-UHFFFAOYSA-N
XLogP4.64
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[3-(benzylcarbamoyl)naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66678345
[2-[[3-[2-methoxy-2-oxo-1-(pentylamino)ethyl]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66889562
[2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 25264648
[1-naphthalen-1-yl-2-oxo-2-(quinolin-3-ylamino)ethyl]phosphonic acid
CID 66872024
2-diethoxyphosphoryl-N-[3-(hydroxymethyl)naphthalen-2-yl]-2-naphthalen-1-ylacetamide
CID 59851001
[2-[[3-[4-(benzotriazol-1-yl)piperidine-1-carbonyl]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 11365571
[2-[3-[(1-acetylpiperidin-4-yl)methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 67095650
dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661
[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid
CID 11233947
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
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (CID 66677543) is [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is COC(=O)c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O.
What is the InChIKey of [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The InChIKey is PCBGTEXNBUZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO6P/c1-31-24(27)20-13-16-8-2-3-9-17(16)14-21(20)25-23(26)22(32(28,29)30)19-12-6-10-15-7-4-5-11-18(15)19/h2-14,22H,1H3,(H,25,26)(H2,28,29,30).
What are the key properties of [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid has a molecular weight of 449.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 66677543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).