2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide

C19H20N2O2 — CID 10828626

IUPAC2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide
SMILESCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-17(11-19(20)22)16-9-8-15(23-2)10-18(16)21(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyPYIAYZFWAVQVCZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.03
Rot. Bonds5

About 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide

2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide (PubChem CID 10828626) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide
PubChem CID10828626
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide
SMILESCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-17(11-19(20)22)16-9-8-15(23-2)10-18(16)21(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyPYIAYZFWAVQVCZ-UHFFFAOYSA-N
XLogP3.03
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Pci-34051
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Harmaline Hydrochloride Dihydrate
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Iik7
CID 4172142
K185
CID 5311198
Koeniginequinone A
CID 11264975
4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid
CID 3710
(3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-)-Phosphonic Acid
CID 3711
Benanserin Hydrochloride
CID 10670
LY311727
CID 155922

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide (CID 10828626) is 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide is COc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide?
The InChIKey is PYIAYZFWAVQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-17(11-19(20)22)16-9-8-15(23-2)10-18(16)21(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22).
What are the key properties of 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide?
2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6-methoxy-2-methylindol-3-yl)acetamide is sourced from PubChem (CID 10828626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).