N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide

C25H29N3O3 — CID 142197351

IUPACN-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1cc(-c2cc3cccc(C)c3[nH]2)c2cc(OC)ccc21
InChIInChI=1S/C25H29N3O3/c1-4-31-12-6-11-26-24(29)16-28-15-21(20-14-19(30-3)9-10-23(20)28)22-13-18-8-5-7-17(2)25(18)27-22/h5,7-10,13-15,27H,4,6,11-12,16H2,1-3H3,(H,26,29)
InChIKeyXLQNAQCYFJHZOA-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.65
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide

N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide (PubChem CID 142197351) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide
PubChem CID142197351
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1cc(-c2cc3cccc(C)c3[nH]2)c2cc(OC)ccc21
InChIInChI=1S/C25H29N3O3/c1-4-31-12-6-11-26-24(29)16-28-15-21(20-14-19(30-3)9-10-23(20)28)22-13-18-8-5-7-17(2)25(18)27-22/h5,7-10,13-15,27H,4,6,11-12,16H2,1-3H3,(H,26,29)
InChIKeyXLQNAQCYFJHZOA-UHFFFAOYSA-N
XLogP4.65
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22477379
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2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
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N-hexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 67158084
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CID 67157851
2-(3-benzylsulfonylindol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 30558655
1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 22477359
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
CID 67157973
2-[5-methoxy-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraen-11-yl)indol-1-yl]acetic acid
CID 123914703
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CID 26776141
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
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2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide (CID 142197351) is N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide is CCOCCCNC(=O)Cn1cc(-c2cc3cccc(C)c3[nH]2)c2cc(OC)ccc21.
What is the InChIKey of N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide?
The InChIKey is XLQNAQCYFJHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-31-12-6-11-26-24(29)16-28-15-21(20-14-19(30-3)9-10-23(20)28)22-13-18-8-5-7-17(2)25(18)27-22/h5,7-10,13-15,27H,4,6,11-12,16H2,1-3H3,(H,26,29).
What are the key properties of N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 142197351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).