5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide

C28H30N2O2 — CID 70697319

IUPAC5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c1
InChIInChI=1S/C28H30N2O2/c1-19(2)24-11-9-20(3)15-26(24)28(31)29-14-13-22-17-30-27-12-10-23(16-25(22)27)32-18-21-7-5-4-6-8-21/h4-12,15-17,19,30H,13-14,18H2,1-3H3,(H,29,31)
InChIKeyHEOJQNBCCBBALV-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.15
Rot. Bonds8

About 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide

5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide (PubChem CID 70697319) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
PubChem CID70697319
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c1
InChIInChI=1S/C28H30N2O2/c1-19(2)24-11-9-20(3)15-26(24)28(31)29-14-13-22-17-30-27-12-10-23(16-25(22)27)32-18-21-7-5-4-6-8-21/h4-12,15-17,19,30H,13-14,18H2,1-3H3,(H,29,31)
InChIKeyHEOJQNBCCBBALV-UHFFFAOYSA-N
XLogP6.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-nitro-6-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]benzoic acid
CID 3545531
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
benzyl N-[2-(5-sulfooxy-1H-indol-3-yl)ethyl]carbamate
CID 71313888
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide?
The IUPAC name of 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide (CID 70697319) is 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide.
What is the SMILES notation for 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide?
The canonical SMILES for 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide is Cc1ccc(C(C)C)c(C(=O)NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c1.
What is the InChIKey of 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide?
The InChIKey is HEOJQNBCCBBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-19(2)24-11-9-20(3)15-26(24)28(31)29-14-13-22-17-30-27-12-10-23(16-25(22)27)32-18-21-7-5-4-6-8-21/h4-12,15-17,19,30H,13-14,18H2,1-3H3,(H,29,31).
What are the key properties of 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide?
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 6.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide is sourced from PubChem (CID 70697319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).