(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

C27H35N3O4 — CID 93125176

IUPAC(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCN3CCOCC3)c3cccc(OC)c3OC)c[nH]c12
InChIInChI=1S/C27H35N3O4/c1-4-19-7-5-8-20-23(18-29-26(19)20)22(21-9-6-10-24(32-2)27(21)33-3)17-25(31)28-11-12-30-13-15-34-16-14-30/h5-10,18,22,29H,4,11-17H2,1-3H3,(H,28,31)/t22-/m1/s1
InChIKeyJXEKHZZUQIFTRS-JOCHJYFZSA-N
MW465.59 g/mol
LogP3.72
Rot. Bonds10

About (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 93125176) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID93125176
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCN3CCOCC3)c3cccc(OC)c3OC)c[nH]c12
InChIInChI=1S/C27H35N3O4/c1-4-19-7-5-8-20-23(18-29-26(19)20)22(21-9-6-10-24(32-2)27(21)33-3)17-25(31)28-11-12-30-13-15-34-16-14-30/h5-10,18,22,29H,4,11-17H2,1-3H3,(H,28,31)/t22-/m1/s1
InChIKeyJXEKHZZUQIFTRS-JOCHJYFZSA-N
XLogP3.72
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635109
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185
3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804479
(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698458
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
(3R)-3-(2,3-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methylpropanamide
CID 93125171
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 93125176) is (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is CCc1cccc2c([C@H](CC(=O)NCCN3CCOCC3)c3cccc(OC)c3OC)c[nH]c12.
What is the InChIKey of (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JXEKHZZUQIFTRS-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-4-19-7-5-8-20-23(18-29-26(19)20)22(21-9-6-10-24(32-2)27(21)33-3)17-25(31)28-11-12-30-13-15-34-16-14-30/h5-10,18,22,29H,4,11-17H2,1-3H3,(H,28,31)/t22-/m1/s1.
What are the key properties of (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 465.59 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 93125176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).