N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C16H21N3O2 — CID 56911658

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(O)CCNC1
InChIInChI=1S/C16H21N3O2/c1-11-13(12-4-2-3-5-14(12)19-11)8-15(20)18-10-16(21)6-7-17-9-16/h2-5,17,19,21H,6-10H2,1H3,(H,18,20)
InChIKeyIHFSOJICYAOQLQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.86
Rot. Bonds4

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 56911658) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID56911658
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(O)CCNC1
InChIInChI=1S/C16H21N3O2/c1-11-13(12-4-2-3-5-14(12)19-11)8-15(20)18-10-16(21)6-7-17-9-16/h2-5,17,19,21H,6-10H2,1H3,(H,18,20)
InChIKeyIHFSOJICYAOQLQ-UHFFFAOYSA-N
XLogP0.86
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.86
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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 114751152
1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544579
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 56911658) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC1(O)CCNC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is IHFSOJICYAOQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-13(12-4-2-3-5-14(12)19-11)8-15(20)18-10-16(21)6-7-17-9-16/h2-5,17,19,21H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 56911658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).