N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

C20H34N4O3 — CID 8767271

IUPACN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H34N4O3/c1-19(2,3)22-17(26)12-24(4)11-16(25)21-18(27)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,22,26)(H2,21,23,25,27)
InChIKeyCRJOYNUFVDKTHF-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.63
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8767271) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8767271
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H34N4O3/c1-19(2,3)22-17(26)12-24(4)11-16(25)21-18(27)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,22,26)(H2,21,23,25,27)
InChIKeyCRJOYNUFVDKTHF-UHFFFAOYSA-N
XLogP1.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795359
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712352
[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8795996
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 9017841
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770435
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
CID 107866668
N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
CID 4821581
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
CID 4962723

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (CID 8767271) is N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is CRJOYNUFVDKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-19(2,3)22-17(26)12-24(4)11-16(25)21-18(27)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,22,26)(H2,21,23,25,27).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 378.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8767271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).