N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide

C31H36N2O4 — CID 42802354

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
SMILESCCc1cccc2c(C(CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C31H36N2O4/c1-6-22-9-8-12-25-27(20-32-31(22)25)26(23-10-7-11-24(18-23)35-3)19-30(34)33(2)16-15-21-13-14-28(36-4)29(17-21)37-5/h7-14,17-18,20,26,32H,6,15-16,19H2,1-5H3
InChIKeyJREKNIPRTAEXSW-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.98
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide (PubChem CID 42802354) has the molecular formula C31H36N2O4 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
PubChem CID42802354
Molecular FormulaC31H36N2O4
Molecular Weight500.64 g/mol
Exact Mass500.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
SMILESCCc1cccc2c(C(CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C31H36N2O4/c1-6-22-9-8-12-25-27(20-32-31(22)25)26(23-10-7-11-24(18-23)35-3)19-30(34)33(2)16-15-21-13-14-28(36-4)29(17-21)37-5/h7-14,17-18,20,26,32H,6,15-16,19H2,1-5H3
InChIKeyJREKNIPRTAEXSW-UHFFFAOYSA-N
XLogP5.98
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248
(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
CID 93125171
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 46133735
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 42803901
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 46131414
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 93122378
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide (CID 42802354) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide is CCc1cccc2c(C(CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3)c[nH]c12.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide?
The InChIKey is JREKNIPRTAEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O4/c1-6-22-9-8-12-25-27(20-32-31(22)25)26(23-10-7-11-24(18-23)35-3)19-30(34)33(2)16-15-21-13-14-28(36-4)29(17-21)37-5/h7-14,17-18,20,26,32H,6,15-16,19H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide has a molecular weight of 500.64 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 42802354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).