3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide

C25H31N3O2 — CID 3336286

IUPAC3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C25H31N3O2/c1-19-6-5-7-20(16-19)22(23-18-27(2)24-9-4-3-8-21(23)24)17-25(29)26-10-11-28-12-14-30-15-13-28/h3-9,16,18,22H,10-15,17H2,1-2H3,(H,26,29)
InChIKeyHEQUYYASXNLKQE-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.46
Rot. Bonds7

About 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 3336286) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID3336286
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C25H31N3O2/c1-19-6-5-7-20(16-19)22(23-18-27(2)24-9-4-3-8-21(23)24)17-25(29)26-10-11-28-12-14-30-15-13-28/h3-9,16,18,22H,10-15,17H2,1-2H3,(H,26,29)
InChIKeyHEQUYYASXNLKQE-UHFFFAOYSA-N
XLogP3.46
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92912022
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
3-cyclohexyl-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 83285670
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide (CID 3336286) is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide is Cc1cccc(C(CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is HEQUYYASXNLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-6-5-7-20(16-19)22(23-18-27(2)24-9-4-3-8-21(23)24)17-25(29)26-10-11-28-12-14-30-15-13-28/h3-9,16,18,22H,10-15,17H2,1-2H3,(H,26,29).
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 405.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 3336286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).