4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide

C19H20N2O2 — CID 2528559

IUPAC4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-18-11-5-4-10-17(18)21-19(22)12-6-7-14-13-20-16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3,(H,21,22)
InChIKeyMUMAKDUENBMQCS-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide

4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide (PubChem CID 2528559) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide
PubChem CID2528559
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-18-11-5-4-10-17(18)21-19(22)12-6-7-14-13-20-16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3,(H,21,22)
InChIKeyMUMAKDUENBMQCS-UHFFFAOYSA-N
XLogP4.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide (CID 2528559) is 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide?
The InChIKey is MUMAKDUENBMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-18-11-5-4-10-17(18)21-19(22)12-6-7-14-13-20-16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3,(H,21,22).
What are the key properties of 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide?
4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 2528559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).