2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C17H29N3O3 — CID 8910239

IUPAC2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC1CC1)C1=CCCCC1
InChIInChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21)
InChIKeyBNEOCUTWMAQMJB-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.13
Rot. Bonds9

About 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 8910239) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID8910239
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC1CC1)C1=CCCCC1
InChIInChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21)
InChIKeyBNEOCUTWMAQMJB-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
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
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709831
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8709832
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
CID 8768191
N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768192
[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-[Cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910238

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 8910239) is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is COCCN(C(=O)CN(C)CC(=O)NC1CC1)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is BNEOCUTWMAQMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21).
What are the key properties of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 323.44 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 8910239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).