N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide

C21H23N2O3P — CID 23940278

IUPACN-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide
SMILESCCN(CC)P(=O)(NC(=O)c1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H23N2O3P/c1-3-23(4-2)27(25,22-21(24)18-11-6-5-7-12-18)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16H,3-4H2,1-2H3,(H,22,24,25)
InChIKeyMDMFDMDWJXJYEA-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.10
Rot. Bonds7

About N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide

N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide (PubChem CID 23940278) has the molecular formula C21H23N2O3P and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide.

Molecular Properties

Compound NameN-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide
PubChem CID23940278
Molecular FormulaC21H23N2O3P
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide
SMILESCCN(CC)P(=O)(NC(=O)c1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H23N2O3P/c1-3-23(4-2)27(25,22-21(24)18-11-6-5-7-12-18)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16H,3-4H2,1-2H3,(H,22,24,25)
InChIKeyMDMFDMDWJXJYEA-UHFFFAOYSA-N
XLogP5.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide?
The IUPAC name of N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide (CID 23940278) is N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide.
What is the SMILES notation for N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide?
The canonical SMILES for N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide is CCN(CC)P(=O)(NC(=O)c1ccccc1)Oc1ccc2ccccc2c1.
What is the InChIKey of N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide?
The InChIKey is MDMFDMDWJXJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2O3P/c1-3-23(4-2)27(25,22-21(24)18-11-6-5-7-12-18)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16H,3-4H2,1-2H3,(H,22,24,25).
What are the key properties of N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide?
N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(naphthalen-2-yloxy)phosphoryl]benzamide is sourced from PubChem (CID 23940278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).