N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C17H24N2O2 — CID 60742837

IUPACN-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-3-4-9-19(10-11-20)17(21)12-15-13(2)18-16-8-6-5-7-14(15)16/h5-8,18,20H,3-4,9-12H2,1-2H3
InChIKeyNOGXTZSHNCASBF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.64
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 60742837) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID60742837
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-3-4-9-19(10-11-20)17(21)12-15-13(2)18-16-8-6-5-7-14(15)16/h5-8,18,20H,3-4,9-12H2,1-2H3
InChIKeyNOGXTZSHNCASBF-UHFFFAOYSA-N
XLogP2.64
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54706987
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
CID 61448255
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55594454
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
N-butyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)propanamide
CID 78855628

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 60742837) is N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide is CCCCN(CCO)C(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is NOGXTZSHNCASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-9-19(10-11-20)17(21)12-15-13(2)18-16-8-6-5-7-14(15)16/h5-8,18,20H,3-4,9-12H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 60742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).