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

C17H22N2O2 — CID 114751152

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-12-14(13-4-2-3-5-15(13)19-12)10-16(21)18-11-17(6-7-17)8-9-20/h2-5,19-20H,6-11H2,1H3,(H,18,21)
InChIKeyCRNORSGTIFBOPO-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds6

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

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 114751152) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID114751152
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC1(CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-12-14(13-4-2-3-5-15(13)19-12)10-16(21)18-11-17(6-7-17)8-9-20/h2-5,19-20H,6-11H2,1H3,(H,18,21)
InChIKeyCRNORSGTIFBOPO-UHFFFAOYSA-N
XLogP2.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
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

1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544579
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 56911658
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
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
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-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 114751152) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC1(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is CRNORSGTIFBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-14(13-4-2-3-5-15(13)19-12)10-16(21)18-11-17(6-7-17)8-9-20/h2-5,19-20H,6-11H2,1H3,(H,18,21).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 286.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 114751152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).