3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide

C25H32N2O3 — CID 4034993

IUPAC3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCC(C)C)c3cc(OC)cc(OC)c3)c[nH]c12
InChIInChI=1S/C25H32N2O3/c1-6-17-8-7-9-21-23(15-27-25(17)21)22(13-24(28)26-14-16(2)3)18-10-19(29-4)12-20(11-18)30-5/h7-12,15-16,22,27H,6,13-14H2,1-5H3,(H,26,28)
InChIKeyDVOPCPXYYFEXPG-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.04
Rot. Bonds9

About 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide

3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide (PubChem CID 4034993) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
PubChem CID4034993
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCC(C)C)c3cc(OC)cc(OC)c3)c[nH]c12
InChIInChI=1S/C25H32N2O3/c1-6-17-8-7-9-21-23(15-27-25(17)21)22(13-24(28)26-14-16(2)3)18-10-19(29-4)12-20(11-18)30-5/h7-12,15-16,22,27H,6,13-14H2,1-5H3,(H,26,28)
InChIKeyDVOPCPXYYFEXPG-UHFFFAOYSA-N
XLogP5.04
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 4110048
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 4006072
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide (CID 4034993) is 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide is CCc1cccc2c(C(CC(=O)NCC(C)C)c3cc(OC)cc(OC)c3)c[nH]c12.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is DVOPCPXYYFEXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-6-17-8-7-9-21-23(15-27-25(17)21)22(13-24(28)26-14-16(2)3)18-10-19(29-4)12-20(11-18)30-5/h7-12,15-16,22,27H,6,13-14H2,1-5H3,(H,26,28).
What are the key properties of 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide?
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 408.54 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 4034993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).