N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide

C25H28N2O — CID 101138736

IUPACN-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C25H28N2O/c28-23(22-9-5-2-6-10-22)27-24(26-17-18-7-3-1-4-8-18)25-14-19-11-20(15-25)13-21(12-19)16-25/h1-10,19-21H,11-17H2,(H,26,27,28)
InChIKeyHUIGHSUOTQCZSV-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.23
Rot. Bonds4

About N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide

N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide (PubChem CID 101138736) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide
PubChem CID101138736
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C25H28N2O/c28-23(22-9-5-2-6-10-22)27-24(26-17-18-7-3-1-4-8-18)25-14-19-11-20(15-25)13-21(12-19)16-25/h1-10,19-21H,11-17H2,(H,26,27,28)
InChIKeyHUIGHSUOTQCZSV-UHFFFAOYSA-N
XLogP5.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-benzyladamantane-1-carboximidamide
CID 18373602
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
methyl N-(1-adamantyl)-N'-benzylcarbamimidothioate
CID 146341779
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
N-[1-adamantyl(benzamido)phosphanyl]benzamide
CID 4526338
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
adamantane-1-carboxylic acid;benzamide
CID 175381809
N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
CID 139243347
N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
CID 155542579
1-[diazo(phenyl)methyl]adamantane
CID 102002808
3-[(1-adamantylamino)methyl]benzoic acid
CID 103231285

Frequently Asked Questions

What is the IUPAC name of N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide?
The IUPAC name of N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide (CID 101138736) is N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide.
What is the SMILES notation for N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide?
The canonical SMILES for N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide is O=C(N/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide?
The InChIKey is HUIGHSUOTQCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-23(22-9-5-2-6-10-22)27-24(26-17-18-7-3-1-4-8-18)25-14-19-11-20(15-25)13-21(12-19)16-25/h1-10,19-21H,11-17H2,(H,26,27,28).
What are the key properties of N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide?
N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide has a molecular weight of 372.51 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide is sourced from PubChem (CID 101138736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).