N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide

C18H17N3O3 — CID 966844

IUPACN-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O3/c1-23-14-7-12(8-15(9-14)24-2)18(22)21-20-11-13-10-19-17-6-4-3-5-16(13)17/h3-11,19H,1-2H3,(H,21,22)
InChIKeyLITGHQMHQMNRKG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.95
Rot. Bonds5

About N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide

N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide (PubChem CID 966844) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
PubChem CID966844
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O3/c1-23-14-7-12(8-15(9-14)24-2)18(22)21-20-11-13-10-19-17-6-4-3-5-16(13)17/h3-11,19H,1-2H3,(H,21,22)
InChIKeyLITGHQMHQMNRKG-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
CID 4190565
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide (CID 966844) is N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NN=Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide?
The InChIKey is LITGHQMHQMNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-14-7-12(8-15(9-14)24-2)18(22)21-20-11-13-10-19-17-6-4-3-5-16(13)17/h3-11,19H,1-2H3,(H,21,22).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide?
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide is sourced from PubChem (CID 966844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).