(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid

C14H16NO4P — CID 71145120

IUPAC(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid
SMILESCC(=O)NC(CP(=O)(O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16NO4P/c1-10(16)15-14(9-20(17,18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,9H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyWPISPZBPIPXTCO-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.19
Rot. Bonds4

About (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid

(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid (PubChem CID 71145120) has the molecular formula C14H16NO4P and a molecular weight of 293.26 g/mol. Its IUPAC name is (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid
PubChem CID71145120
Molecular FormulaC14H16NO4P
Molecular Weight293.26 g/mol
Exact Mass293.08
IUPAC Name(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid
SMILESCC(=O)NC(CP(=O)(O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16NO4P/c1-10(16)15-14(9-20(17,18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,9H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyWPISPZBPIPXTCO-UHFFFAOYSA-N
XLogP2.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[(benzylamino)-naphthalen-2-ylmethyl]phosphonic acid
CID 71349459
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid?
The IUPAC name of (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid (CID 71145120) is (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid.
What is the SMILES notation for (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid?
The canonical SMILES for (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid is CC(=O)NC(CP(=O)(O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid?
The InChIKey is WPISPZBPIPXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO4P/c1-10(16)15-14(9-20(17,18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,9H2,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid?
(2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid has a molecular weight of 293.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-2-naphthalen-2-ylethyl)phosphonic acid is sourced from PubChem (CID 71145120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).