N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

C19H23N3O2 — CID 110984294

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(OC)c(OC)c1)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-20-19(22-11-10-15-6-4-5-7-16(15)22)21-13-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyVSHPZUVVYPPWDL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.84
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984294) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984294
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(OC)c(OC)c1)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-20-19(22-11-10-15-6-4-5-7-16(15)22)21-13-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyVSHPZUVVYPPWDL-UHFFFAOYSA-N
XLogP2.84
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111201391
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983380
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111201778
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111097809
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984480
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110984294) is N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccc(OC)c(OC)c1)N1CCc2ccccc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is VSHPZUVVYPPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-19(22-11-10-15-6-4-5-7-16(15)22)21-13-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).