3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C27H29N3O — CID 5059153

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(C)c3)c[nH]c12
InChIInChI=1S/C27H29N3O/c1-3-20-9-7-12-23-25(18-30-27(20)23)24(21-10-6-8-19(2)16-21)17-26(31)29-15-13-22-11-4-5-14-28-22/h4-12,14,16,18,24,30H,3,13,15,17H2,1-2H3,(H,29,31)
InChIKeyDXTLMYTZORMOKQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.31
Rot. Bonds8

About 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 5059153) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID5059153
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(C)c3)c[nH]c12
InChIInChI=1S/C27H29N3O/c1-3-20-9-7-12-23-25(18-30-27(20)23)24(21-10-6-8-19(2)16-21)17-26(31)29-15-13-22-11-4-5-14-28-22/h4-12,14,16,18,24,30H,3,13,15,17H2,1-2H3,(H,29,31)
InChIKeyDXTLMYTZORMOKQ-UHFFFAOYSA-N
XLogP5.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 5059153) is 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is CCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(C)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is DXTLMYTZORMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-3-20-9-7-12-23-25(18-30-27(20)23)24(21-10-6-8-19(2)16-21)17-26(31)29-15-13-22-11-4-5-14-28-22/h4-12,14,16,18,24,30H,3,13,15,17H2,1-2H3,(H,29,31).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 411.55 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 5059153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).