N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide

C18H25N3O3 — CID 86985649

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N(C)CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)20-16(22)11-21(4)17(23)8-12-10-19-15-7-6-13(24-5)9-14(12)15/h6-7,9-10,19H,8,11H2,1-5H3,(H,20,22)
InChIKeyAPVKAOOKPQGEHA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide (PubChem CID 86985649) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide
PubChem CID86985649
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N(C)CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)20-16(22)11-21(4)17(23)8-12-10-19-15-7-6-13(24-5)9-14(12)15/h6-7,9-10,19H,8,11H2,1-5H3,(H,20,22)
InChIKeyAPVKAOOKPQGEHA-UHFFFAOYSA-N
XLogP2.09
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78872752
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-phenylacetamide
CID 86985638
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
tert-butyl N-[[2-(5-methoxy-1H-indol-3-yl)acetyl]carbamoyl]-N-methylsulfanylcarbamate
CID 87835483

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide (CID 86985649) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide is COc1ccc2[nH]cc(CC(=O)N(C)CC(=O)NC(C)(C)C)c2c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is APVKAOOKPQGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)20-16(22)11-21(4)17(23)8-12-10-19-15-7-6-13(24-5)9-14(12)15/h6-7,9-10,19H,8,11H2,1-5H3,(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 86985649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).