4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide

C20H24N4O — CID 110983330

IUPAC4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN/C(=N\C)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-3-22-19(25)17-10-8-15(9-11-17)14-23-20(21-2)24-13-12-16-6-4-5-7-18(16)24/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyQKYQUPCLPYJUTP-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.57
Rot. Bonds4

About 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide

4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide (PubChem CID 110983330) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
PubChem CID110983330
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN/C(=N\C)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-3-22-19(25)17-10-8-15(9-11-17)14-23-20(21-2)24-13-12-16-6-4-5-7-18(16)24/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyQKYQUPCLPYJUTP-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
N-(2-amino-2-oxoethyl)-4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110983335
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110983328
N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116385
N-ethyl-4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111149080
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-tert-butyl-3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 110984885
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485

Frequently Asked Questions

What is the IUPAC name of 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide (CID 110983330) is 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CN/C(=N\C)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is QKYQUPCLPYJUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-22-19(25)17-10-8-15(9-11-17)14-23-20(21-2)24-13-12-16-6-4-5-7-18(16)24/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide?
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 110983330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).