2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide

C17H17N3O — CID 106151228

IUPAC2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17N3O/c1-11-2-4-12(5-3-11)16(18)17(21)20-14-6-7-15-13(10-14)8-9-19-15/h2-10,16,19H,18H2,1H3,(H,20,21)
InChIKeyTXCWTIQDQPKKPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide (PubChem CID 106151228) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
PubChem CID106151228
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17N3O/c1-11-2-4-12(5-3-11)16(18)17(21)20-14-6-7-15-13(10-14)8-9-19-15/h2-10,16,19H,18H2,1H3,(H,20,21)
InChIKeyTXCWTIQDQPKKPX-UHFFFAOYSA-N
XLogP3.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
2-amino-N-(1H-indol-5-yl)hexanamide
CID 61248761
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
2-amino-2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120667005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide (CID 106151228) is 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)Nc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is TXCWTIQDQPKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-2-4-12(5-3-11)16(18)17(21)20-14-6-7-15-13(10-14)8-9-19-15/h2-10,16,19H,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).