neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide

C17H16NNpO2- — CID 134847085

IUPACneptunium;N-phenylmethoxy-N-prop-2-enylbenzamide
SMILES[H]/[C-]=C\CN(OCc1ccccc1)C(=O)c1ccccc1.[Np]
InChIInChI=1S/C17H16NO2.Np/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15;/h1-12H,13-14H2;/q-1;
InChIKeyKFQPODDSULULDY-UHFFFAOYSA-N
MW503.32 g/mol
LogP3.25
Rot. Bonds6

About neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide

neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide (PubChem CID 134847085) has the molecular formula C17H16NNpO2- and a molecular weight of 503.32 g/mol. Its IUPAC name is neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Nameneptunium;N-phenylmethoxy-N-prop-2-enylbenzamide
PubChem CID134847085
Molecular FormulaC17H16NNpO2-
Molecular Weight503.32 g/mol
Exact Mass502.17
IUPAC Nameneptunium;N-phenylmethoxy-N-prop-2-enylbenzamide
SMILES[H]/[C-]=C\CN(OCc1ccccc1)C(=O)c1ccccc1.[Np]
InChIInChI=1S/C17H16NO2.Np/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15;/h1-12H,13-14H2;/q-1;
InChIKeyKFQPODDSULULDY-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide?
The IUPAC name of neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide (CID 134847085) is neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide is [H]/[C-]=C\CN(OCc1ccccc1)C(=O)c1ccccc1.[Np].
What is the InChIKey of neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide?
The InChIKey is KFQPODDSULULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO2.Np/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15;/h1-12H,13-14H2;/q-1;.
What are the key properties of neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide?
neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide has a molecular weight of 503.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for neptunium;N-phenylmethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 134847085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).