3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide

C25H33N3O3 — CID 30575402

IUPAC3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O3/c1-27-12-11-21-17-20(6-9-23(21)27)24(28-13-15-31-16-14-28)18-26-25(29)10-5-19-3-7-22(30-2)8-4-19/h3-4,6-9,17,24H,5,10-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyJFWKUERBDXAPLT-DEOSSOPVSA-N
MW423.56 g/mol
LogP2.81
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide

3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 30575402) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide
PubChem CID30575402
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O3/c1-27-12-11-21-17-20(6-9-23(21)27)24(28-13-15-31-16-14-28)18-26-25(29)10-5-19-3-7-22(30-2)8-4-19/h3-4,6-9,17,24H,5,10-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyJFWKUERBDXAPLT-DEOSSOPVSA-N
XLogP2.81
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90582216
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30575756
1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
CID 51696853
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576321
3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574638
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 51640937
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40890602
N-[(4-methoxyphenyl)methyl]-N'-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 16801998

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide (CID 30575402) is 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is JFWKUERBDXAPLT-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-27-12-11-21-17-20(6-9-23(21)27)24(28-13-15-31-16-14-28)18-26-25(29)10-5-19-3-7-22(30-2)8-4-19/h3-4,6-9,17,24H,5,10-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide?
3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 30575402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).