2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide

C16H33N3O — CID 104575511

IUPAC2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)13-8-6-12(7-9-13)14(15(17)20)18-10-11-19(4)5/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyOYBYUBKZASYKGT-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.84
Rot. Bonds6

About 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 104575511) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID104575511
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)13-8-6-12(7-9-13)14(15(17)20)18-10-11-19(4)5/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyOYBYUBKZASYKGT-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 67022413
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
CID 104576070
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
2-[2-(diethylamino)ethylamino]-2-(oxolan-3-yl)acetamide
CID 61005294
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186
2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
CID 66190841
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
methyl 2-(4-tert-butylcyclohexyl)-2-chloroacetate
CID 104575894
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 104575511) is 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNC(C(N)=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is OYBYUBKZASYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,3)13-8-6-12(7-9-13)14(15(17)20)18-10-11-19(4)5/h12-14,18H,6-11H2,1-5H3,(H2,17,20).
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 104575511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).