4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide

C21H24N2O — CID 3262035

IUPAC4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-16-10-12-17(13-11-16)14-22-21(24)9-5-6-18-15-23(2)20-8-4-3-7-19(18)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H,22,24)
InChIKeyAXKBONUXAMETLI-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.13
Rot. Bonds6

About 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide

4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 3262035) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID3262035
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-16-10-12-17(13-11-16)14-22-21(24)9-5-6-18-15-23(2)20-8-4-3-7-19(18)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H,22,24)
InChIKeyAXKBONUXAMETLI-UHFFFAOYSA-N
XLogP4.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide (CID 3262035) is 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is AXKBONUXAMETLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-10-12-17(13-11-16)14-22-21(24)9-5-6-18-15-23(2)20-8-4-3-7-19(18)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H,22,24).
What are the key properties of 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 3262035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).