4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide

C19H21N3O2 — CID 172636522

IUPAC4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide
SMILESCN(C)CCc1cn(-c2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C19H21N3O2/c1-21(2)12-11-15-13-22(18-6-4-3-5-17(15)18)16-9-7-14(8-10-16)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
InChIKeyPAVSNNNECFFYLN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.85
Rot. Bonds5

About 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide

4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide (PubChem CID 172636522) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide
PubChem CID172636522
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide
SMILESCN(C)CCc1cn(-c2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C19H21N3O2/c1-21(2)12-11-15-13-22(18-6-4-3-5-17(15)18)16-9-7-14(8-10-16)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
InChIKeyPAVSNNNECFFYLN-UHFFFAOYSA-N
XLogP2.85
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
2-(5-ethenyl-1-phenylindol-3-yl)-N,N-dimethylethanamine
CID 21284985
3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
CID 166467769
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
ethyl 3-(1-phenylindol-3-yl)propanoate
CID 154127482
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine
CID 10829244
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide (CID 172636522) is 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide is CN(C)CCc1cn(-c2ccc(C(=O)NO)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide?
The InChIKey is PAVSNNNECFFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(2)12-11-15-13-22(18-6-4-3-5-17(15)18)16-9-7-14(8-10-16)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide?
4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-N-hydroxybenzamide is sourced from PubChem (CID 172636522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).