2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide

C21H34N2O3 — CID 100734323

IUPAC2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
SMILESCOCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCC1
InChIInChI=1S/C21H34N2O3/c1-26-14-20(3-2-4-20)13-23-19(25)12-22-18(24)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCAKWDICRDIVXFI-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.64
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide (PubChem CID 100734323) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
PubChem CID100734323
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
SMILESCOCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCC1
InChIInChI=1S/C21H34N2O3/c1-26-14-20(3-2-4-20)13-23-19(25)12-22-18(24)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCAKWDICRDIVXFI-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-(oxolan-3-yl)acetamide
CID 122569101
2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide
CID 131907539
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide (CID 100734323) is 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide is COCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is CAKWDICRDIVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-26-14-20(3-2-4-20)13-23-19(25)12-22-18(24)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h15-17H,2-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 362.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 100734323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).