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

C21H36N4O3 — CID 8795359

IUPACN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H36N4O3/c1-5-25(13-18(27)23-20(2,3)4)12-17(26)22-19(28)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,5-13H2,1-4H3,(H,23,27)(H2,22,24,26,28)
InChIKeyBQINJSLLAXZVHK-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.02
Rot. Bonds6

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

N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 8795359) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID8795359
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H36N4O3/c1-5-25(13-18(27)23-20(2,3)4)12-17(26)22-19(28)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,5-13H2,1-4H3,(H,23,27)(H2,22,24,26,28)
InChIKeyBQINJSLLAXZVHK-UHFFFAOYSA-N
XLogP2.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8767271
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8795996
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712352
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678198
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770435
1-(1-adamantyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915181
N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
CID 4821581
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide (CID 8795359) is N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide is CCN(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]-ethylamino]acetamide?
The InChIKey is BQINJSLLAXZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-5-25(13-18(27)23-20(2,3)4)12-17(26)22-19(28)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-16H,5-13H2,1-4H3,(H,23,27)(H2,22,24,26,28).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 392.54 g/mol, XLogP of 2.02, 6 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]-ethylamino]acetamide is sourced from PubChem (CID 8795359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).