N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide

C18H27N3O2S — CID 16932083

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)C2=CSC=C2
InChIInChI=1S/C18H27N3O2S/c1-21(2)16(15-9-11-24-13-15)12-20-18(23)17(22)19-10-8-14-6-4-3-5-7-14/h6,9,11,13,16H,3-5,7-8,10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRBZVOFQLAFTAKJ-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.50
Rot. Bonds7

About N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide

N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide (PubChem CID 16932083) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide
PubChem CID16932083
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)C2=CSC=C2
InChIInChI=1S/C18H27N3O2S/c1-21(2)16(15-9-11-24-13-15)12-20-18(23)17(22)19-10-8-14-6-4-3-5-7-14/h6,9,11,13,16H,3-5,7-8,10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRBZVOFQLAFTAKJ-UHFFFAOYSA-N
XLogP2.50
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity465

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 25162543
N-[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-1-oxo-3-thiophen-3-ylpropan-2-yl]decanamide
CID 122193070
(E)-N-ethyl-3-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 6212019
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603

Frequently Asked Questions

What is the IUPAC name of N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide?
The IUPAC name of N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide (CID 16932083) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide?
The canonical SMILES for N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide is CN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)C2=CSC=C2.
What is the InChIKey of N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide?
The InChIKey is RBZVOFQLAFTAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-21(2)16(15-9-11-24-13-15)12-20-18(23)17(22)19-10-8-14-6-4-3-5-7-14/h6,9,11,13,16H,3-5,7-8,10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide?
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide has a molecular weight of 349.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide is sourced from PubChem (CID 16932083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).