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

C20H23N3O — CID 17478687

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O/c1-23(2)17-10-7-15(8-11-17)13-22-20(24)12-9-16-14-21-19-6-4-3-5-18(16)19/h3-8,10-11,14,21H,9,12-13H2,1-2H3,(H,22,24)
InChIKeyDGMBJPCMMGOCQI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.48
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 17478687) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID17478687
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O/c1-23(2)17-10-7-15(8-11-17)13-22-20(24)12-9-16-14-21-19-6-4-3-5-18(16)19/h3-8,10-11,14,21H,9,12-13H2,1-2H3,(H,22,24)
InChIKeyDGMBJPCMMGOCQI-UHFFFAOYSA-N
XLogP3.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide 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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide (CID 17478687) is N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide is CN(C)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is DGMBJPCMMGOCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23(2)17-10-7-15(8-11-17)13-22-20(24)12-9-16-14-21-19-6-4-3-5-18(16)19/h3-8,10-11,14,21H,9,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 17478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).