N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C14H18N2O3 — CID 66175804

IUPACN-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(O)CO
InChIInChI=1S/C14H18N2O3/c1-9-12(6-14(19)15-7-10(18)8-17)11-4-2-3-5-13(11)16-9/h2-5,10,16-18H,6-8H2,1H3,(H,15,19)
InChIKeyKTDBCONNQJWFOM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.49
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 66175804) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID66175804
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(O)CO
InChIInChI=1S/C14H18N2O3/c1-9-12(6-14(19)15-7-10(18)8-17)11-4-2-3-5-13(11)16-9/h2-5,10,16-18H,6-8H2,1H3,(H,15,19)
InChIKeyKTDBCONNQJWFOM-UHFFFAOYSA-N
XLogP0.49
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
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
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 66175804) is N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is KTDBCONNQJWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-12(6-14(19)15-7-10(18)8-17)11-4-2-3-5-13(11)16-9/h2-5,10,16-18H,6-8H2,1H3,(H,15,19).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 66175804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).