3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide

C26H33N3O3 — CID 42802930

IUPAC3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCN2CCOCC2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C26H33N3O3/c1-28-19-24(22-6-3-4-7-25(22)28)23(20-8-10-21(31-2)11-9-20)18-26(30)27-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,5,12-18H2,1-2H3,(H,27,30)
InChIKeyNDRUVPAZSVKKMH-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.55
Rot. Bonds9

About 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide

3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 42802930) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID42802930
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCN2CCOCC2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C26H33N3O3/c1-28-19-24(22-6-3-4-7-25(22)28)23(20-8-10-21(31-2)11-9-20)18-26(30)27-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,5,12-18H2,1-2H3,(H,27,30)
InChIKeyNDRUVPAZSVKKMH-UHFFFAOYSA-N
XLogP3.55
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92648113
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 83275450
(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92912022
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 42802930) is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide is COc1ccc(C(CC(=O)NCCCN2CCOCC2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is NDRUVPAZSVKKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-28-19-24(22-6-3-4-7-25(22)28)23(20-8-10-21(31-2)11-9-20)18-26(30)27-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,5,12-18H2,1-2H3,(H,27,30).
What are the key properties of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 42802930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).