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

C17H31N3O3 — CID 8913710

IUPAC2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O3/c1-14(2)18-16(21)12-19(3)13-17(22)20(10-11-23-4)15-8-6-5-7-9-15/h8,14H,5-7,9-13H2,1-4H3,(H,18,21)
InChIKeyFFSBUEDUHRGPKC-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.38
Rot. Bonds9

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

2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 8913710) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID8913710
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O3/c1-14(2)18-16(21)12-19(3)13-17(22)20(10-11-23-4)15-8-6-5-7-9-15/h8,14H,5-7,9-13H2,1-4H3,(H,18,21)
InChIKeyFFSBUEDUHRGPKC-UHFFFAOYSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
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
[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
[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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 8913710) is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is COCCN(C(=O)CN(C)CC(=O)NC(C)C)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is FFSBUEDUHRGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-14(2)18-16(21)12-19(3)13-17(22)20(10-11-23-4)15-8-6-5-7-9-15/h8,14H,5-7,9-13H2,1-4H3,(H,18,21).
What are the key properties of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 325.45 g/mol, XLogP of 1.38, 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-propan-2-ylacetamide is sourced from PubChem (CID 8913710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).