N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide

C21H25N3O — CID 119109918

IUPACN,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C21H25N3O/c1-3-24(4-2)21(25)17-10-8-16(9-11-17)14-22-15-18-6-5-7-20-19(18)12-13-23-20/h5-13,22-23H,3-4,14-15H2,1-2H3
InChIKeyWDYPEWRUFJQLRG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.94
Rot. Bonds7

About N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide

N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide (PubChem CID 119109918) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
PubChem CID119109918
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C21H25N3O/c1-3-24(4-2)21(25)17-10-8-16(9-11-17)14-22-15-18-6-5-7-20-19(18)12-13-23-20/h5-13,22-23H,3-4,14-15H2,1-2H3
InChIKeyWDYPEWRUFJQLRG-UHFFFAOYSA-N
XLogP3.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
CID 119110190
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 119109923
N,N-diethyl-4-[[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 110995213
3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
CID 86814852

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide (CID 119109918) is N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide is CCN(CC)C(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide?
The InChIKey is WDYPEWRUFJQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-24(4-2)21(25)17-10-8-16(9-11-17)14-22-15-18-6-5-7-20-19(18)12-13-23-20/h5-13,22-23H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide?
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 119109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).