N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide

C25H31N3O4 — CID 156628620

IUPACN-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3ccc(O[C@H]4NCC[C@H]4NC(C)=O)cc3c2C(C)C)cc1OC
InChIInChI=1S/C25H31N3O4/c1-14(2)23-18-13-17(32-25-20(10-11-26-25)27-15(3)29)7-8-19(18)28-24(23)16-6-9-21(30-4)22(12-16)31-5/h6-9,12-14,20,25-26,28H,10-11H2,1-5H3,(H,27,29)/t20-,25-/m1/s1
InChIKeyHDSBPOHOEFFREG-CJFMBICVSA-N
MW437.54 g/mol
LogP4.18
Rot. Bonds7

About N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide

N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide (PubChem CID 156628620) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide
PubChem CID156628620
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3ccc(O[C@H]4NCC[C@H]4NC(C)=O)cc3c2C(C)C)cc1OC
InChIInChI=1S/C25H31N3O4/c1-14(2)23-18-13-17(32-25-20(10-11-26-25)27-15(3)29)7-8-19(18)28-24(23)16-6-9-21(30-4)22(12-16)31-5/h6-9,12-14,20,25-26,28H,10-11H2,1-5H3,(H,27,29)/t20-,25-/m1/s1
InChIKeyHDSBPOHOEFFREG-CJFMBICVSA-N
XLogP4.18
TPSA84.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide
CID 138688906
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]pyrrolidine-3-carboxamide
CID 151232986
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
CID 134230320
3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]benzoic acid
CID 154639969
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 150155217
1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 154639333
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-phenylacetamide
CID 151821417
4-amino-1-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 134230298
1-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]ethanone
CID 134230349
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide (CID 156628620) is N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide is COc1ccc(-c2[nH]c3ccc(O[C@H]4NCC[C@H]4NC(C)=O)cc3c2C(C)C)cc1OC.
What is the InChIKey of N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide?
The InChIKey is HDSBPOHOEFFREG-CJFMBICVSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-14(2)23-18-13-17(32-25-20(10-11-26-25)27-15(3)29)7-8-19(18)28-24(23)16-6-9-21(30-4)22(12-16)31-5/h6-9,12-14,20,25-26,28H,10-11H2,1-5H3,(H,27,29)/t20-,25-/m1/s1.
What are the key properties of N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide?
N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156628620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).