[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium

C25H31N2O+ — CID 7971177

IUPAC[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28)/p+1
InChIKeyNSMIJMBFBMRFPO-UHFFFAOYSA-O
MW375.54 g/mol
LogP3.42
Rot. Bonds6

About [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium

[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium (PubChem CID 7971177) has the molecular formula C25H31N2O+ and a molecular weight of 375.54 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
PubChem CID7971177
Molecular FormulaC25H31N2O+
Molecular Weight375.54 g/mol
Exact Mass375.24
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28)/p+1
InChIKeyNSMIJMBFBMRFPO-UHFFFAOYSA-O
XLogP3.42
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307413
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 8753901
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
CID 3992740
[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium
CID 7440921
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium (CID 7971177) is [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium is O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium?
The InChIKey is NSMIJMBFBMRFPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30N2O/c28-23(27-25-14-18-11-19(15-25)13-20(12-18)16-25)17-26-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,18-20,24,26H,11-17H2,(H,27,28)/p+1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium?
[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium has a molecular weight of 375.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium is sourced from PubChem (CID 7971177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).