N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide

C20H22N2O2 — CID 10639585

IUPACN-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyPXLUOLMBEQOSEC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.72
Rot. Bonds6

About N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide

N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide (PubChem CID 10639585) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide
PubChem CID10639585
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyPXLUOLMBEQOSEC-UHFFFAOYSA-N
XLogP3.72
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide (CID 10639585) is N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide is CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide?
The InChIKey is PXLUOLMBEQOSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide?
N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-methoxyindol-2-yl)methyl]propanamide is sourced from PubChem (CID 10639585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).