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

C16H22N2O2 — CID 86078316

IUPACN-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2C(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-13(7-8-17-12(3)19)15-9-14(20-4)5-6-16(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)
InChIKeyMRSFMLBZAYHRRP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide (PubChem CID 86078316) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
PubChem CID86078316
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2C(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-13(7-8-17-12(3)19)15-9-14(20-4)5-6-16(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)
InChIKeyMRSFMLBZAYHRRP-UHFFFAOYSA-N
XLogP2.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
CID 170864106
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
3-(5-methoxy-1-propan-2-ylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881645
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide (CID 86078316) is N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)c(CCNC(C)=O)cn2C(C)C.
What is the InChIKey of N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide?
The InChIKey is MRSFMLBZAYHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-10-13(7-8-17-12(3)19)15-9-14(20-4)5-6-16(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86078316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).