N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide

C21H24N2O3 — CID 25343089

IUPACN-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(OC)c1C
InChIInChI=1S/C21H24N2O3/c1-15-19(25-2)13-17(14-20(15)26-3)21(24)22-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,22,24)
InChIKeyOKTMPCMIFKGESJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.79
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide

N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 25343089) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID25343089
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(OC)c1C
InChIInChI=1S/C21H24N2O3/c1-15-19(25-2)13-17(14-20(15)26-3)21(24)22-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,22,24)
InChIKeyOKTMPCMIFKGESJ-UHFFFAOYSA-N
XLogP3.79
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide (CID 25343089) is N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCCCn2ccc3ccccc32)cc(OC)c1C.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is OKTMPCMIFKGESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-19(25-2)13-17(14-20(15)26-3)21(24)22-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide?
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 25343089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).