N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide

C16H22N2O2 — CID 10468594

IUPACN-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(C)C)c(CCNC(C)=O)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)16-13(7-8-17-11(3)19)14-9-12(20-4)5-6-15(14)18-16/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyVSRBYZZTJPHXQD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide

N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 10468594) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide
PubChem CID10468594
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(C)C)c(CCNC(C)=O)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)16-13(7-8-17-11(3)19)14-9-12(20-4)5-6-15(14)18-16/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyVSRBYZZTJPHXQD-UHFFFAOYSA-N
XLogP2.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide (CID 10468594) is N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]c(C(C)C)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VSRBYZZTJPHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)16-13(7-8-17-11(3)19)14-9-12(20-4)5-6-15(14)18-16/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 10468594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).