N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C21H30N2O2 — CID 8794614

IUPACN-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O2/c1-23(13-15-4-3-5-19(9-15)25-2)14-20(24)22-21-10-16-6-17(11-21)8-18(7-16)12-21/h3-5,9,16-18H,6-8,10-14H2,1-2H3,(H,22,24)
InChIKeySEIUFOLGHVCKMZ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.21
Rot. Bonds6

About N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8794614) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8794614
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O2/c1-23(13-15-4-3-5-19(9-15)25-2)14-20(24)22-21-10-16-6-17(11-21)8-18(7-16)12-21/h3-5,9,16-18H,6-8,10-14H2,1-2H3,(H,22,24)
InChIKeySEIUFOLGHVCKMZ-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
CID 2982025
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
1-(1-adamantyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 3250585
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 8794614) is N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is SEIUFOLGHVCKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-23(13-15-4-3-5-19(9-15)25-2)14-20(24)22-21-10-16-6-17(11-21)8-18(7-16)12-21/h3-5,9,16-18H,6-8,10-14H2,1-2H3,(H,22,24).
What are the key properties of N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8794614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).