N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide

C23H32N4O2 — CID 71780353

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H32N4O2/c1-26(2)21(19-16-27(3)20-12-8-7-11-18(19)20)15-25-23(29)22(28)24-14-13-17-9-5-4-6-10-17/h7-9,11-12,16,21H,4-6,10,13-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyJVEQLLFTRYKUOY-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 71780353) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID71780353
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H32N4O2/c1-26(2)21(19-16-27(3)20-12-8-7-11-18(19)20)15-25-23(29)22(28)24-14-13-17-9-5-4-6-10-17/h7-9,11-12,16,21H,4-6,10,13-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyJVEQLLFTRYKUOY-UHFFFAOYSA-N
XLogP2.90
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.90
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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535253
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 56764165
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 90491028
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18583681
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide (CID 71780353) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide is CN(C)C(CNC(=O)C(=O)NCCC1=CCCCC1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is JVEQLLFTRYKUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26(2)21(19-16-27(3)20-12-8-7-11-18(19)20)15-25-23(29)22(28)24-14-13-17-9-5-4-6-10-17/h7-9,11-12,16,21H,4-6,10,13-15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 396.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 71780353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).