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

C21H25N3O — CID 70160592

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-15(16-8-11-18(12-9-16)24(2)3)23-21(25)13-10-17-14-22-20-7-5-4-6-19(17)20/h4-9,11-12,14-15,22H,10,13H2,1-3H3,(H,23,25)
InChIKeyGDTUDXBWGMHJAG-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.04
Rot. Bonds6

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

N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 70160592) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID70160592
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-15(16-8-11-18(12-9-16)24(2)3)23-21(25)13-10-17-14-22-20-7-5-4-6-19(17)20/h4-9,11-12,14-15,22H,10,13H2,1-3H3,(H,23,25)
InChIKeyGDTUDXBWGMHJAG-UHFFFAOYSA-N
XLogP4.04
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25470256

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide (CID 70160592) is N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide is CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is GDTUDXBWGMHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(16-8-11-18(12-9-16)24(2)3)23-21(25)13-10-17-14-22-20-7-5-4-6-19(17)20/h4-9,11-12,14-15,22H,10,13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide?
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 70160592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).