4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide

C17H19N3O — CID 63360632

IUPAC4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-19(2)17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,9-10,18H2,1-2H3
InChIKeyPDUUQULGGDFVQS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.66
Rot. Bonds2

About 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide

4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide (PubChem CID 63360632) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
PubChem CID63360632
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-19(2)17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,9-10,18H2,1-2H3
InChIKeyPDUUQULGGDFVQS-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
CID 28809875
1-ethyl-N,N-dimethyl-2,3-dihydroindole-6-carboxamide
CID 144672537
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
CID 102888377

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide (CID 63360632) is 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(N2CCc3ccccc32)c1.
What is the InChIKey of 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide?
The InChIKey is PDUUQULGGDFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(2)17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide?
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 63360632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).