N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide

C16H23N3O2 — CID 102915716

IUPACN-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
SMILESCNCc1ccc2c(ccn2CC(=O)NCCCOC)c1
InChIInChI=1S/C16H23N3O2/c1-17-11-13-4-5-15-14(10-13)6-8-19(15)12-16(20)18-7-3-9-21-2/h4-6,8,10,17H,3,7,9,11-12H2,1-2H3,(H,18,20)
InChIKeyGDTICPLZHSIWRD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.51
Rot. Bonds8

About N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide

N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide (PubChem CID 102915716) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
PubChem CID102915716
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
SMILESCNCc1ccc2c(ccn2CC(=O)NCCCOC)c1
InChIInChI=1S/C16H23N3O2/c1-17-11-13-4-5-15-14(10-13)6-8-19(15)12-16(20)18-7-3-9-21-2/h4-6,8,10,17H,3,7,9,11-12H2,1-2H3,(H,18,20)
InChIKeyGDTICPLZHSIWRD-UHFFFAOYSA-N
XLogP1.51
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.51
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

N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide (CID 102915716) is N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide is CNCc1ccc2c(ccn2CC(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The InChIKey is GDTICPLZHSIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-11-13-4-5-15-14(10-13)6-8-19(15)12-16(20)18-7-3-9-21-2/h4-6,8,10,17H,3,7,9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102915716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).