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

C32H38N2O5 — CID 93125171

IUPAC(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
SMILESCCc1cccc2c([C@@H](CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3OC)c[nH]c12
InChIInChI=1S/C32H38N2O5/c1-7-22-10-8-11-23-26(20-33-31(22)23)25(24-12-9-13-28(37-4)32(24)39-6)19-30(35)34(2)17-16-21-14-15-27(36-3)29(18-21)38-5/h8-15,18,20,25,33H,7,16-17,19H2,1-6H3/t25-/m0/s1
InChIKeyYJPURTXVSFIPGY-VWLOTQADSA-N
MW530.67 g/mol
LogP5.99
Rot. Bonds12

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

(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide (PubChem CID 93125171) has the molecular formula C32H38N2O5 and a molecular weight of 530.67 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
PubChem CID93125171
Molecular FormulaC32H38N2O5
Molecular Weight530.67 g/mol
Exact Mass530.28
IUPAC Name(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
SMILESCCc1cccc2c([C@@H](CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3OC)c[nH]c12
InChIInChI=1S/C32H38N2O5/c1-7-22-10-8-11-23-26(20-33-31(22)23)25(24-12-9-13-28(37-4)32(24)39-6)19-30(35)34(2)17-16-21-14-15-27(36-3)29(18-21)38-5/h8-15,18,20,25,33H,7,16-17,19H2,1-6H3/t25-/m0/s1
InChIKeyYJPURTXVSFIPGY-VWLOTQADSA-N
XLogP5.99
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 42802354
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 42803901
(3S)-3-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123771
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93125176
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 46133735
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 93123831
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,3-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1071409
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide (CID 93125171) is (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide is CCc1cccc2c([C@@H](CC(=O)N(C)CCc3ccc(OC)c(OC)c3)c3cccc(OC)c3OC)c[nH]c12.
What is the InChIKey of (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is YJPURTXVSFIPGY-VWLOTQADSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-7-22-10-8-11-23-26(20-33-31(22)23)25(24-12-9-13-28(37-4)32(24)39-6)19-30(35)34(2)17-16-21-14-15-27(36-3)29(18-21)38-5/h8-15,18,20,25,33H,7,16-17,19H2,1-6H3/t25-/m0/s1.
What are the key properties of (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide?
(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 530.67 g/mol, XLogP of 5.99, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 93125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).