N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide

C22H31NO3 — CID 71782037

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO3/c1-21(25,10-15-3-5-19(26-2)6-4-15)14-23-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18,25H,7-14H2,1-2H3,(H,23,24)
InChIKeySTXMWSTVHBZFBW-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.32
Rot. Bonds6

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide (PubChem CID 71782037) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide
PubChem CID71782037
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO3/c1-21(25,10-15-3-5-19(26-2)6-4-15)14-23-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18,25H,7-14H2,1-2H3,(H,23,24)
InChIKeySTXMWSTVHBZFBW-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 145965217
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]cyclohexanecarboxamide
CID 145978643
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 2841738
N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
CID 3892355
N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 4590252
4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-2-hydroxy-butyramide
CID 25109344
3-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-2-hydroxy-propionamide
CID 44590227
4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-2-oxo-butyramide
CID 44590339
1-(3-Hydroxyazetidin-1-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)-2-adamantyl]ethanone
CID 59337265
3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269489
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]adamantane-1-carboxamide
CID 145963813

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide (CID 71782037) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide is COc1ccc(CC(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide?
The InChIKey is STXMWSTVHBZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-21(25,10-15-3-5-19(26-2)6-4-15)14-23-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18,25H,7-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide has a molecular weight of 357.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]adamantane-1-carboxamide is sourced from PubChem (CID 71782037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).