N-benzyl-2-(3-phenyl-1-adamantyl)acetamide

C25H29NO — CID 2953915

IUPACN-benzyl-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1
InChIInChI=1S/C25H29NO/c27-23(26-17-19-7-3-1-4-8-19)16-24-12-20-11-21(13-24)15-25(14-20,18-24)22-9-5-2-6-10-22/h1-10,20-21H,11-18H2,(H,26,27)
InChIKeyMRLHKEVFSTWSQY-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.23
Rot. Bonds5

About N-benzyl-2-(3-phenyl-1-adamantyl)acetamide

N-benzyl-2-(3-phenyl-1-adamantyl)acetamide (PubChem CID 2953915) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-benzyl-2-(3-phenyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-phenyl-1-adamantyl)acetamide
PubChem CID2953915
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-benzyl-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1
InChIInChI=1S/C25H29NO/c27-23(26-17-19-7-3-1-4-8-19)16-24-12-20-11-21(13-24)15-25(14-20,18-24)22-9-5-2-6-10-22/h1-10,20-21H,11-18H2,(H,26,27)
InChIKeyMRLHKEVFSTWSQY-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 974905
N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide
CID 4149625
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
CID 163950956
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
CID 153310944
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5S,7S)-3-phenyl-1-adamantyl]acetamide
CID 98170747
1-benzyl-3-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]urea
CID 98173867
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98431869
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-phenyl-1-adamantyl)acetamide?
The IUPAC name of N-benzyl-2-(3-phenyl-1-adamantyl)acetamide (CID 2953915) is N-benzyl-2-(3-phenyl-1-adamantyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-phenyl-1-adamantyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-phenyl-1-adamantyl)acetamide is O=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-phenyl-1-adamantyl)acetamide?
The InChIKey is MRLHKEVFSTWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c27-23(26-17-19-7-3-1-4-8-19)16-24-12-20-11-21(13-24)15-25(14-20,18-24)22-9-5-2-6-10-22/h1-10,20-21H,11-18H2,(H,26,27).
What are the key properties of N-benzyl-2-(3-phenyl-1-adamantyl)acetamide?
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-phenyl-1-adamantyl)acetamide is sourced from PubChem (CID 2953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).