N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide

C18H33N3O3 — CID 8768192

IUPACN-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22)
InChIKeyMRTZGRKBKXHJBB-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.77
Rot. Bonds8

About N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8768192) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8768192
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22)
InChIKeyMRTZGRKBKXHJBB-UHFFFAOYSA-N
XLogP1.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
N-(cyclohexen-1-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 70869418
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709819
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8709820
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylazanium
CID 8767782
N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8767783
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
CID 8768191
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium
CID 8768358
N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768359
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium
CID 8768438
N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768439
[2-[Cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910238

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8768192) is N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide is COCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is MRTZGRKBKXHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8768192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).