2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide

C18H23N3O2 — CID 71829005

IUPAC2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13(22)19-16-8-5-9-17-15(16)10-11-21(17)12-18(23)20-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVKFNHZLGPCSDKX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide

2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide (PubChem CID 71829005) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
PubChem CID71829005
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13(22)19-16-8-5-9-17-15(16)10-11-21(17)12-18(23)20-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVKFNHZLGPCSDKX-UHFFFAOYSA-N
XLogP3.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71828007
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
2-(4-acetamidoindol-1-yl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 121238755
2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 71828066
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71828241
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide (CID 71829005) is 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide?
The InChIKey is VKFNHZLGPCSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(22)19-16-8-5-9-17-15(16)10-11-21(17)12-18(23)20-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide?
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 71829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).