N-(2-phenylphenyl)adamantane-1-carboxamide

C23H25NO — CID 3097465

IUPACN-(2-phenylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO/c25-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,24,25)
InChIKeyCNHVTIQFJGRZJK-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.51
Rot. Bonds3

About N-(2-phenylphenyl)adamantane-1-carboxamide

N-(2-phenylphenyl)adamantane-1-carboxamide (PubChem CID 3097465) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-phenylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)adamantane-1-carboxamide
PubChem CID3097465
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-(2-phenylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO/c25-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,24,25)
InChIKeyCNHVTIQFJGRZJK-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Upcmld05admt002042
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-phenylphenyl)adamantane-1-carboxamide (CID 3097465) is N-(2-phenylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)adamantane-1-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-phenylphenyl)adamantane-1-carboxamide?
The InChIKey is CNHVTIQFJGRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c25-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,24,25).
What are the key properties of N-(2-phenylphenyl)adamantane-1-carboxamide?
N-(2-phenylphenyl)adamantane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 3097465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).