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

C24H27NO2 — CID 10784818

IUPACN-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27NO2/c26-23(24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-8-4-5-9-22(21)27-16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,25,26)
InChIKeyRARSJHKOXNWKBP-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.42
Rot. Bonds5

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

N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide (PubChem CID 10784818) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
PubChem CID10784818
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27NO2/c26-23(24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-8-4-5-9-22(21)27-16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,25,26)
InChIKeyRARSJHKOXNWKBP-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 137390918
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide
CID 108922974
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787396
4-(1-adamantyl)-3-phenylmethoxybenzoyl chloride
CID 139908702
N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 118726195

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide (CID 10784818) is N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide is O=C(Nc1ccccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide?
The InChIKey is RARSJHKOXNWKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c26-23(24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-8-4-5-9-22(21)27-16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,25,26).
What are the key properties of N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide?
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 10784818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).