N-benzyladamantane-1-carboxamide

C18H23NO — CID 3826889

IUPACN-benzyladamantane-1-carboxamide
SMILESO=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c20-17(19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H,19,20)
InChIKeyAEGPPEKTVKFZNH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds3

About N-benzyladamantane-1-carboxamide

N-benzyladamantane-1-carboxamide (PubChem CID 3826889) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-benzyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-benzyladamantane-1-carboxamide
PubChem CID3826889
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-benzyladamantane-1-carboxamide
SMILESO=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c20-17(19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H,19,20)
InChIKeyAEGPPEKTVKFZNH-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyladamantane-1-carboxamide 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-benzyl-2-cyclohexylacetamide
CID 880904
N-phenethyladamantane-1-carboxamide
CID 2787235
N-(3,3-diphenylpropyl)-2-phenylacetamide
CID 1293167
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
N-Methyl-3-(4-methylphenyl)-1-adamantanecarboxamide
CID 614567
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N-Benzyldodecanamide
CID 54134
N-benzyl-2,2-diphenylacetamide
CID 349569
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
CID 4225440
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412
2,2-diphenyl-N-(3-phenylpropyl)acetamide
CID 2385541
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034

Frequently Asked Questions

What is the IUPAC name of N-benzyladamantane-1-carboxamide?
The IUPAC name of N-benzyladamantane-1-carboxamide (CID 3826889) is N-benzyladamantane-1-carboxamide.
What is the SMILES notation for N-benzyladamantane-1-carboxamide?
The canonical SMILES for N-benzyladamantane-1-carboxamide is O=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-benzyladamantane-1-carboxamide?
The InChIKey is AEGPPEKTVKFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-17(19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H,19,20).
What are the key properties of N-benzyladamantane-1-carboxamide?
N-benzyladamantane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyladamantane-1-carboxamide is sourced from PubChem (CID 3826889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).