N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

C18H26N2O — CID 80572825

IUPACN-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCC(NC(=O)CC1CNc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)11-15-12-19-17-10-6-5-9-16(15)17/h5-6,9-10,13-15,19H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyGEAOPPZCBHFIPT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 80572825) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID80572825
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCC(NC(=O)CC1CNc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)11-15-12-19-17-10-6-5-9-16(15)17/h5-6,9-10,13-15,19H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyGEAOPPZCBHFIPT-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-(1-cyclopropylpropan-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573557
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 80571900
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 106161625
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (CID 80572825) is N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is CC(NC(=O)CC1CNc2ccccc21)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is GEAOPPZCBHFIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(14-7-3-2-4-8-14)20-18(21)11-15-12-19-17-10-6-5-9-16(15)17/h5-6,9-10,13-15,19H,2-4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 80572825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).