N-[1-adamantyl(benzamido)phosphanyl]benzamide

C24H27N2O2P — CID 4526338

IUPACN-[1-adamantyl(benzamido)phosphanyl]benzamide
SMILESO=C(NP(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H27N2O2P/c27-22(20-7-3-1-4-8-20)25-29(26-23(28)21-9-5-2-6-10-21)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2,(H,25,27)(H,26,28)
InChIKeyGDPIEEKVIQLALR-UHFFFAOYSA-N
MW406.47 g/mol
LogP5.13
Rot. Bonds5

About N-[1-adamantyl(benzamido)phosphanyl]benzamide

N-[1-adamantyl(benzamido)phosphanyl]benzamide (PubChem CID 4526338) has the molecular formula C24H27N2O2P and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[1-adamantyl(benzamido)phosphanyl]benzamide.

Molecular Properties

Compound NameN-[1-adamantyl(benzamido)phosphanyl]benzamide
PubChem CID4526338
Molecular FormulaC24H27N2O2P
Molecular Weight406.47 g/mol
Exact Mass406.18
IUPAC NameN-[1-adamantyl(benzamido)phosphanyl]benzamide
SMILESO=C(NP(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H27N2O2P/c27-22(20-7-3-1-4-8-20)25-29(26-23(28)21-9-5-2-6-10-21)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2,(H,25,27)(H,26,28)
InChIKeyGDPIEEKVIQLALR-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-adamantyl(benzamido)phosphanyl]benzamide?
The IUPAC name of N-[1-adamantyl(benzamido)phosphanyl]benzamide (CID 4526338) is N-[1-adamantyl(benzamido)phosphanyl]benzamide.
What is the SMILES notation for N-[1-adamantyl(benzamido)phosphanyl]benzamide?
The canonical SMILES for N-[1-adamantyl(benzamido)phosphanyl]benzamide is O=C(NP(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[1-adamantyl(benzamido)phosphanyl]benzamide?
The InChIKey is GDPIEEKVIQLALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2O2P/c27-22(20-7-3-1-4-8-20)25-29(26-23(28)21-9-5-2-6-10-21)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19H,11-16H2,(H,25,27)(H,26,28).
What are the key properties of N-[1-adamantyl(benzamido)phosphanyl]benzamide?
N-[1-adamantyl(benzamido)phosphanyl]benzamide has a molecular weight of 406.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-adamantyl(benzamido)phosphanyl]benzamide is sourced from PubChem (CID 4526338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).