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

C21H27N3O3 — CID 90535253

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C21H27N3O3/c1-24-14-17(16-9-5-6-10-18(16)24)19(25)13-23-21(27)20(26)22-12-11-15-7-3-2-4-8-15/h5-7,9-10,14,19,25H,2-4,8,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyHNAWKCTXACNJNM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.33
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 90535253) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID90535253
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C21H27N3O3/c1-24-14-17(16-9-5-6-10-18(16)24)19(25)13-23-21(27)20(26)22-12-11-15-7-3-2-4-8-15/h5-7,9-10,14,19,25H,2-4,8,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyHNAWKCTXACNJNM-UHFFFAOYSA-N
XLogP2.33
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.33
H-Bond Donors ≤ 53
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-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71780353
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 56764165
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765504
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717798
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717802
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (CID 90535253) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is Cn1cc(C(O)CNC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is HNAWKCTXACNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-24-14-17(16-9-5-6-10-18(16)24)19(25)13-23-21(27)20(26)22-12-11-15-7-3-2-4-8-15/h5-7,9-10,14,19,25H,2-4,8,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 369.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 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-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 90535253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).