N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide

C21H29NO3 — CID 90624100

IUPACN-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO3/c1-24-19-5-3-4-14(11-19)12-20(23)22-13-21(25-2)17-7-15-6-16(9-17)10-18(21)8-15/h3-5,11,15-18H,6-10,12-13H2,1-2H3,(H,22,23)
InChIKeyLAIGMALFUAYGGZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.20
Rot. Bonds6

About N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide

N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 90624100) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID90624100
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO3/c1-24-19-5-3-4-14(11-19)12-20(23)22-13-21(25-2)17-7-15-6-16(9-17)10-18(21)8-15/h3-5,11,15-18H,6-10,12-13H2,1-2H3,(H,22,23)
InChIKeyLAIGMALFUAYGGZ-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624340
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 91789520
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide
CID 90624081
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide (CID 90624100) is N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is LAIGMALFUAYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-19-5-3-4-14(11-19)12-20(23)22-13-21(25-2)17-7-15-6-16(9-17)10-18(21)8-15/h3-5,11,15-18H,6-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide?
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 90624100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).