N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide

C21H25N3O2 — CID 87006855

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O2/c1-24(2)13-14-26-18-10-8-17(9-11-18)23-21(25)12-7-16-15-22-20-6-4-3-5-19(16)20/h3-6,8-11,15,22H,7,12-14H2,1-2H3,(H,23,25)
InChIKeyDAUFRCLYXJWBMP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.68
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 87006855) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID87006855
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O2/c1-24(2)13-14-26-18-10-8-17(9-11-18)23-21(25)12-7-16-15-22-20-6-4-3-5-19(16)20/h3-6,8-11,15,22H,7,12-14H2,1-2H3,(H,23,25)
InChIKeyDAUFRCLYXJWBMP-UHFFFAOYSA-N
XLogP3.68
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide (CID 87006855) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide is CN(C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is DAUFRCLYXJWBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24(2)13-14-26-18-10-8-17(9-11-18)23-21(25)12-7-16-15-22-20-6-4-3-5-19(16)20/h3-6,8-11,15,22H,7,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 87006855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).