N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide

C28H30N2O4 — CID 35342946

IUPACN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O4/c1-6-30(28(31)20-15-24(32-3)27(34-5)25(16-20)33-4)26(19-13-11-18(2)12-14-19)22-17-29-23-10-8-7-9-21(22)23/h7-17,26,29H,6H2,1-5H3/t26-/m0/s1
InChIKeyHUPBQUIPAWLEGL-SANMLTNESA-N
MW458.56 g/mol
LogP5.75
Rot. Bonds8

About N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide

N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 35342946) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID35342946
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O4/c1-6-30(28(31)20-15-24(32-3)27(34-5)25(16-20)33-4)26(19-13-11-18(2)12-14-19)22-17-29-23-10-8-7-9-21(22)23/h7-17,26,29H,6H2,1-5H3/t26-/m0/s1
InChIKeyHUPBQUIPAWLEGL-SANMLTNESA-N
XLogP5.75
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 43843372
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35344444
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 35344358
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide
CID 35182064
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide (CID 35342946) is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide is CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is HUPBQUIPAWLEGL-SANMLTNESA-N. The full InChI is InChI=1S/C28H30N2O4/c1-6-30(28(31)20-15-24(32-3)27(34-5)25(16-20)33-4)26(19-13-11-18(2)12-14-19)22-17-29-23-10-8-7-9-21(22)23/h7-17,26,29H,6H2,1-5H3/t26-/m0/s1.
What are the key properties of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide?
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 458.56 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 35342946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).