N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide

C24H22N2O2 — CID 164617561

IUPACN-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NCc3ccc4c(ccn4C)c3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-3-8-21(9-4-17)28-22-10-6-19(7-11-22)24(27)25-16-18-5-12-23-20(15-18)13-14-26(23)2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyVVJJZBNAIRPCPG-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.21
Rot. Bonds5

About N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide

N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide (PubChem CID 164617561) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide
PubChem CID164617561
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NCc3ccc4c(ccn4C)c3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-3-8-21(9-4-17)28-22-10-6-19(7-11-22)24(27)25-16-18-5-12-23-20(15-18)13-14-26(23)2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyVVJJZBNAIRPCPG-UHFFFAOYSA-N
XLogP5.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide?
The IUPAC name of N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide (CID 164617561) is N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide?
The canonical SMILES for N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide is Cc1ccc(Oc2ccc(C(=O)NCc3ccc4c(ccn4C)c3)cc2)cc1.
What is the InChIKey of N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide?
The InChIKey is VVJJZBNAIRPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-3-8-21(9-4-17)28-22-10-6-19(7-11-22)24(27)25-16-18-5-12-23-20(15-18)13-14-26(23)2/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide?
N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide has a molecular weight of 370.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide is sourced from PubChem (CID 164617561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).