trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide

C21H25NO2 — CID 133267652

IUPACtrans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCC[C@@H](O)C1
InChIInChI=1S/C21H25NO2/c1-22(21(24)19-8-5-9-20(23)14-19)15-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-4,6-7,10-13,19-20,23H,5,8-9,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyUPXZJNWBRNURNT-WOJBJXKFSA-N
MW323.44 g/mol
LogP3.86
Rot. Bonds4

About trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide

trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 133267652) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID133267652
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nametrans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCC[C@@H](O)C1
InChIInChI=1S/C21H25NO2/c1-22(21(24)19-8-5-9-20(23)14-19)15-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-4,6-7,10-13,19-20,23H,5,8-9,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyUPXZJNWBRNURNT-WOJBJXKFSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
CID 134054105
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
1-(2,2-dimethylpropanoyl)-N-methyl-N-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 55580804
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91789090
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide (CID 133267652) is trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCC[C@@H](O)C1.
What is the InChIKey of trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UPXZJNWBRNURNT-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22(21(24)19-8-5-9-20(23)14-19)15-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-4,6-7,10-13,19-20,23H,5,8-9,14-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 133267652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).