2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide

C19H18N2O3 — CID 99965412

IUPAC2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
SMILESCc1ccccc1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-12-7-3-6-10-16(12)24-11-17(22)21-13(2)18(19(20)23)14-8-4-5-9-15(14)21/h3-10H,11H2,1-2H3,(H2,20,23)
InChIKeyVODPZHWIPVCGAP-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide

2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide (PubChem CID 99965412) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
PubChem CID99965412
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
SMILESCc1ccccc1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-12-7-3-6-10-16(12)24-11-17(22)21-13(2)18(19(20)23)14-8-4-5-9-15(14)21/h3-10H,11H2,1-2H3,(H2,20,23)
InChIKeyVODPZHWIPVCGAP-UHFFFAOYSA-N
XLogP3.08
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide?
The IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide (CID 99965412) is 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide is Cc1ccccc1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21.
What is the InChIKey of 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide?
The InChIKey is VODPZHWIPVCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-3-6-10-16(12)24-11-17(22)21-13(2)18(19(20)23)14-8-4-5-9-15(14)21/h3-10H,11H2,1-2H3,(H2,20,23).
What are the key properties of 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide?
2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide is sourced from PubChem (CID 99965412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).