4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide

C20H24N4O — CID 119891273

IUPAC4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
SMILESCN(C)CCn1ccc2ccc(NC(=O)c3ccc(CN)cc3)cc21
InChIInChI=1S/C20H24N4O/c1-23(2)11-12-24-10-9-16-7-8-18(13-19(16)24)22-20(25)17-5-3-15(14-21)4-6-17/h3-10,13H,11-12,14,21H2,1-2H3,(H,22,25)
InChIKeyQZXONHHZVZEEET-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.91
Rot. Bonds6

About 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide

4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide (PubChem CID 119891273) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
PubChem CID119891273
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
SMILESCN(C)CCn1ccc2ccc(NC(=O)c3ccc(CN)cc3)cc21
InChIInChI=1S/C20H24N4O/c1-23(2)11-12-24-10-9-16-7-8-18(13-19(16)24)22-20(25)17-5-3-15(14-21)4-6-17/h3-10,13H,11-12,14,21H2,1-2H3,(H,22,25)
InChIKeyQZXONHHZVZEEET-UHFFFAOYSA-N
XLogP2.91
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
5-acetamido-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyridine-2-carboxamide
CID 166207727
4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
CID 120597119
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
CID 119891246
4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
CID 119891303
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800919
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647194
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]morpholine-3-carboxamide;dihydrochloride
CID 119891236

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide (CID 119891273) is 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide is CN(C)CCn1ccc2ccc(NC(=O)c3ccc(CN)cc3)cc21.
What is the InChIKey of 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide?
The InChIKey is QZXONHHZVZEEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23(2)11-12-24-10-9-16-7-8-18(13-19(16)24)22-20(25)17-5-3-15(14-21)4-6-17/h3-10,13H,11-12,14,21H2,1-2H3,(H,22,25).
What are the key properties of 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide?
4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide is sourced from PubChem (CID 119891273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).