N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide

C21H24N2O3 — CID 113086198

IUPACN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C21H24N2O3/c1-13-5-6-20-19(9-13)18(14(2)23-20)7-8-22-21(24)15-10-16(25-3)12-17(11-15)26-4/h5-6,9-12,23H,7-8H2,1-4H3,(H,22,24)
InChIKeyXWAUVSHCZRRJEX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113086198) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID113086198
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c1
InChIInChI=1S/C21H24N2O3/c1-13-5-6-20-19(9-13)18(14(2)23-20)7-8-22-21(24)15-10-16(25-3)12-17(11-15)26-4/h5-6,9-12,23H,7-8H2,1-4H3,(H,22,24)
InChIKeyXWAUVSHCZRRJEX-UHFFFAOYSA-N
XLogP3.77
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 45497570
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155135109
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
6-bromo-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 1045615
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide (CID 113086198) is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is XWAUVSHCZRRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-5-6-20-19(9-13)18(14(2)23-20)7-8-22-21(24)15-10-16(25-3)12-17(11-15)26-4/h5-6,9-12,23H,7-8H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113086198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).