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

C20H23NO2 — CID 91764753

IUPACtrans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C20H23NO2/c22-19-8-4-7-18(13-19)20(23)21-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,22H,4,7-8,13-14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyNOIJEMGAJDFBCM-OALUTQOASA-N
MW309.41 g/mol
LogP3.52
Rot. Bonds4

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

trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 91764753) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID91764753
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C20H23NO2/c22-19-8-4-7-18(13-19)20(23)21-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,22H,4,7-8,13-14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyNOIJEMGAJDFBCM-OALUTQOASA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide (CID 91764753) is trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NOIJEMGAJDFBCM-OALUTQOASA-N. The full InChI is InChI=1S/C20H23NO2/c22-19-8-4-7-18(13-19)20(23)21-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,22H,4,7-8,13-14H2,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91764753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).