2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide

C21H24N4O2 — CID 60555655

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C21H24N4O2/c1-13(2)22-21(27)25-19-11-7-6-10-18(19)24-20(26)12-16-14(3)23-17-9-5-4-8-15(16)17/h4-11,13,23H,12H2,1-3H3,(H,24,26)(H2,22,25,27)
InChIKeyMVKSHSLKJSZXTP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 60555655) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID60555655
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C21H24N4O2/c1-13(2)22-21(27)25-19-11-7-6-10-18(19)24-20(26)12-16-14(3)23-17-9-5-4-8-15(16)17/h4-11,13,23H,12H2,1-3H3,(H,24,26)(H2,22,25,27)
InChIKeyMVKSHSLKJSZXTP-UHFFFAOYSA-N
XLogP4.19
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.19
H-Bond Donors ≤ 54
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-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
(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
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide (CID 60555655) is 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1NC(=O)NC(C)C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is MVKSHSLKJSZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)22-21(27)25-19-11-7-6-10-18(19)24-20(26)12-16-14(3)23-17-9-5-4-8-15(16)17/h4-11,13,23H,12H2,1-3H3,(H,24,26)(H2,22,25,27).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 60555655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).