N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C15H20N2O2 — CID 65036979

IUPACN-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(C)CO
InChIInChI=1S/C15H20N2O2/c1-10(9-18)8-16-15(19)7-13-11(2)17-14-6-4-3-5-12(13)14/h3-6,10,17-18H,7-9H2,1-2H3,(H,16,19)
InChIKeyKUGIDQQIXVMSJF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 65036979) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID65036979
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(C)CO
InChIInChI=1S/C15H20N2O2/c1-10(9-18)8-16-15(19)7-13-11(2)17-14-6-4-3-5-12(13)14/h3-6,10,17-18H,7-9H2,1-2H3,(H,16,19)
InChIKeyKUGIDQQIXVMSJF-UHFFFAOYSA-N
XLogP1.76
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
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-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 114751152
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 65036979) is N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is KUGIDQQIXVMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(9-18)8-16-15(19)7-13-11(2)17-14-6-4-3-5-12(13)14/h3-6,10,17-18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 65036979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).