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

C30H34N2O3 — CID 42803901

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccc(C)cc2C)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C30H34N2O3/c1-20-10-12-23(21(2)16-20)25(26-19-31-27-9-7-6-8-24(26)27)18-30(33)32(3)15-14-22-11-13-28(34-4)29(17-22)35-5/h6-13,16-17,19,25,31H,14-15,18H2,1-5H3
InChIKeyIITYCTWPJDHXCW-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.03
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 42803901) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID42803901
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccc(C)cc2C)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C30H34N2O3/c1-20-10-12-23(21(2)16-20)25(26-19-31-27-9-7-6-8-24(26)27)18-30(33)32(3)15-14-22-11-13-28(34-4)29(17-22)35-5/h6-13,16-17,19,25,31H,14-15,18H2,1-5H3
InChIKeyIITYCTWPJDHXCW-UHFFFAOYSA-N
XLogP6.03
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
CID 93125171
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
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]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
CID 5154471
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42802192
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide
CID 4119452
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825
N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 42706077
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 42803901) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide is COc1ccc(CCN(C)C(=O)CC(c2ccc(C)cc2C)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is IITYCTWPJDHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-20-10-12-23(21(2)16-20)25(26-19-31-27-9-7-6-8-24(26)27)18-30(33)32(3)15-14-22-11-13-28(34-4)29(17-22)35-5/h6-13,16-17,19,25,31H,14-15,18H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 470.61 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 42803901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).