N-(1-adamantyl)-7-phenylmethoxyheptanamide

C24H35NO2 — CID 70694285

IUPACN-(1-adamantyl)-7-phenylmethoxyheptanamide
SMILESO=C(CCCCCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35NO2/c26-23(25-24-15-20-12-21(16-24)14-22(13-20)17-24)10-6-1-2-7-11-27-18-19-8-4-3-5-9-19/h3-5,8-9,20-22H,1-2,6-7,10-18H2,(H,25,26)
InChIKeyBBVJUGLBVRVAPC-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.24
Rot. Bonds10

About N-(1-adamantyl)-7-phenylmethoxyheptanamide

N-(1-adamantyl)-7-phenylmethoxyheptanamide (PubChem CID 70694285) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-(1-adamantyl)-7-phenylmethoxyheptanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-7-phenylmethoxyheptanamide
PubChem CID70694285
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-(1-adamantyl)-7-phenylmethoxyheptanamide
SMILESO=C(CCCCCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35NO2/c26-23(25-24-15-20-12-21(16-24)14-22(13-20)17-24)10-6-1-2-7-11-27-18-19-8-4-3-5-9-19/h3-5,8-9,20-22H,1-2,6-7,10-18H2,(H,25,26)
InChIKeyBBVJUGLBVRVAPC-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7-phenylmethoxyheptanamide?
The IUPAC name of N-(1-adamantyl)-7-phenylmethoxyheptanamide (CID 70694285) is N-(1-adamantyl)-7-phenylmethoxyheptanamide.
What is the SMILES notation for N-(1-adamantyl)-7-phenylmethoxyheptanamide?
The canonical SMILES for N-(1-adamantyl)-7-phenylmethoxyheptanamide is O=C(CCCCCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-7-phenylmethoxyheptanamide?
The InChIKey is BBVJUGLBVRVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c26-23(25-24-15-20-12-21(16-24)14-22(13-20)17-24)10-6-1-2-7-11-27-18-19-8-4-3-5-9-19/h3-5,8-9,20-22H,1-2,6-7,10-18H2,(H,25,26).
What are the key properties of N-(1-adamantyl)-7-phenylmethoxyheptanamide?
N-(1-adamantyl)-7-phenylmethoxyheptanamide has a molecular weight of 369.55 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7-phenylmethoxyheptanamide is sourced from PubChem (CID 70694285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).