2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide

C16H20N2O2 — CID 116622948

IUPAC2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
SMILESCc1ccc2c(ccn2CC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H20N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(19)17-14-5-8-20-9-6-14/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,17,19)
InChIKeyKKHZEZYXQAFUKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide

2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 116622948) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID116622948
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
SMILESCc1ccc2c(ccn2CC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H20N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(19)17-14-5-8-20-9-6-14/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,17,19)
InChIKeyKKHZEZYXQAFUKL-UHFFFAOYSA-N
XLogP2.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
CID 63748060
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
CID 107920614
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 105421747
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide (CID 116622948) is 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide is Cc1ccc2c(ccn2CC(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is KKHZEZYXQAFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(19)17-14-5-8-20-9-6-14/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide?
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 116622948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).