N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C18H22N2O2 — CID 11044731

IUPACN-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESC[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyUGNZMEBWXIYLIQ-GFCCVEGCSA-N
MW298.39 g/mol
LogP3.44
Rot. Bonds4

About N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 11044731) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID11044731
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESC[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyUGNZMEBWXIYLIQ-GFCCVEGCSA-N
XLogP3.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide
CID 146209267
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 11044731) is N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is UGNZMEBWXIYLIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 298.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 11044731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).