[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate

C20H20NO5P — CID 11773558

IUPAC[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate
SMILESO=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H20NO5P/c22-20(18-11-10-16-8-4-5-9-17(16)13-18)21-19(14-26-27(23,24)25)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,21,22)(H2,23,24,25)/t19-/m1/s1
InChIKeyZFWDTMVSJBNGRZ-LJQANCHMSA-N
MW385.36 g/mol
LogP3.29
Rot. Bonds7

About [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate

[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate (PubChem CID 11773558) has the molecular formula C20H20NO5P and a molecular weight of 385.36 g/mol. Its IUPAC name is [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate
PubChem CID11773558
Molecular FormulaC20H20NO5P
Molecular Weight385.36 g/mol
Exact Mass385.11
IUPAC Name[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate
SMILESO=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H20NO5P/c22-20(18-11-10-16-8-4-5-9-17(16)13-18)21-19(14-26-27(23,24)25)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,21,22)(H2,23,24,25)/t19-/m1/s1
InChIKeyZFWDTMVSJBNGRZ-LJQANCHMSA-N
XLogP3.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
3-Methylphenylalanine derivative, 22a
CID 11749915
Substituted Benzamide Derivative, 2
CID 44236114
Amide, 17c
CID 44263413
3-Fluorophenylalanine derivative, 21a
CID 11441043
2,3-Difluorophenylalanine derivative, 23a
CID 44263414
PLpro-IN-1
CID 1287748
2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
CID 44235434
(R)-2-Methyl-5-((methylamino)methyl)-N-(1-(naphthalen-1-yl)ethyl)benzamide
CID 44236357
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
CID 45100499
N-(1-Benzyl-2-oxo-ethyl)-2-naphthalen-2-ylmethyl-benzamide
CID 21190850
(R)-2-(2-naphthamido)-3-m-tolylpropanoic acid
CID 46884012

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate (CID 11773558) is [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate is O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate?
The InChIKey is ZFWDTMVSJBNGRZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20NO5P/c22-20(18-11-10-16-8-4-5-9-17(16)13-18)21-19(14-26-27(23,24)25)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,21,22)(H2,23,24,25)/t19-/m1/s1.
What are the key properties of [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate?
[(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate has a molecular weight of 385.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(naphthalene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate is sourced from PubChem (CID 11773558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).