N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C24H23NO — CID 57256640

IUPACN-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C24H23NO/c26-24(22-17-9-15-18-10-7-8-16-21(18)22)25-23(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22-23H,9,15,17H2,(H,25,26)
InChIKeyUPUUGPFSUHHQKW-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.01
Rot. Bonds4

About N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 57256640) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID57256640
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC NameN-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C24H23NO/c26-24(22-17-9-15-18-10-7-8-16-21(18)22)25-23(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22-23H,9,15,17H2,(H,25,26)
InChIKeyUPUUGPFSUHHQKW-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzhydryl-1,2,3,4-tetrahydronaphthalene-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-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42889430
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 119591602
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 57256640) is N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is UPUUGPFSUHHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c26-24(22-17-9-15-18-10-7-8-16-21(18)22)25-23(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22-23H,9,15,17H2,(H,25,26).
What are the key properties of N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 57256640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).