N-(2-adamantyl)-3-phenylmethoxybenzamide

C24H27NO2 — CID 1314081

IUPACN-(2-adamantyl)-3-phenylmethoxybenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H27NO2/c26-24(25-23-20-10-17-9-18(12-20)13-21(23)11-17)19-7-4-8-22(14-19)27-15-16-5-2-1-3-6-16/h1-8,14,17-18,20-21,23H,9-13,15H2,(H,25,26)
InChIKeyVZHLNEVHVNLTNU-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.82
Rot. Bonds5

About N-(2-adamantyl)-3-phenylmethoxybenzamide

N-(2-adamantyl)-3-phenylmethoxybenzamide (PubChem CID 1314081) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2-adamantyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-phenylmethoxybenzamide
PubChem CID1314081
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-(2-adamantyl)-3-phenylmethoxybenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H27NO2/c26-24(25-23-20-10-17-9-18(12-20)13-21(23)11-17)19-7-4-8-22(14-19)27-15-16-5-2-1-3-6-16/h1-8,14,17-18,20-21,23H,9-13,15H2,(H,25,26)
InChIKeyVZHLNEVHVNLTNU-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(1-adamantylcarbamothioyl)-3-phenylmethoxybenzamide
CID 4631773
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
CID 23366095
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(2-adamantyl)-3-phenylmethoxybenzamide (CID 1314081) is N-(2-adamantyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-adamantyl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(2-adamantyl)-3-phenylmethoxybenzamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(2-adamantyl)-3-phenylmethoxybenzamide?
The InChIKey is VZHLNEVHVNLTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c26-24(25-23-20-10-17-9-18(12-20)13-21(23)11-17)19-7-4-8-22(14-19)27-15-16-5-2-1-3-6-16/h1-8,14,17-18,20-21,23H,9-13,15H2,(H,25,26).
What are the key properties of N-(2-adamantyl)-3-phenylmethoxybenzamide?
N-(2-adamantyl)-3-phenylmethoxybenzamide has a molecular weight of 361.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 1314081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).