N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide

C15H20N2O2 — CID 81042798

IUPACN-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(C)CCO
InChIInChI=1S/C15H20N2O2/c1-10(7-8-18)16-15(19)9-13-11(2)17-14-6-4-3-5-12(13)14/h3-6,10,17-18H,7-9H2,1-2H3,(H,16,19)
InChIKeyQRRCMTISDZONEM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 81042798) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID81042798
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(C)CCO
InChIInChI=1S/C15H20N2O2/c1-10(7-8-18)16-15(19)9-13-11(2)17-14-6-4-3-5-12(13)14/h3-6,10,17-18H,7-9H2,1-2H3,(H,16,19)
InChIKeyQRRCMTISDZONEM-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 51935996
methyl (2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pent-4-enoate
CID 97256616
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 81042798) is N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is QRRCMTISDZONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(7-8-18)16-15(19)9-13-11(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-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 81042798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).