2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide

C29H25N3O3 — CID 6187592

IUPAC2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1
InChIInChI=1S/C29H25N3O3/c1-34-23-14-15-26(28(16-23)35-2)29(33)31-30-17-22-19-32(27-13-6-5-12-25(22)27)18-21-10-7-9-20-8-3-4-11-24(20)21/h3-17,19H,18H2,1-2H3,(H,31,33)/b30-17-
InChIKeyKNWHHXFZXMHSHJ-LQNQUEJISA-N
MW463.54 g/mol
LogP5.62
Rot. Bonds7

About 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide

2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide (PubChem CID 6187592) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
PubChem CID6187592
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1
InChIInChI=1S/C29H25N3O3/c1-34-23-14-15-26(28(16-23)35-2)29(33)31-30-17-22-19-32(27-13-6-5-12-25(22)27)18-21-10-7-9-20-8-3-4-11-24(20)21/h3-17,19H,18H2,1-2H3,(H,31,33)/b30-17-
InChIKeyKNWHHXFZXMHSHJ-LQNQUEJISA-N
XLogP5.62
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,4-dimethoxy-N-[(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 4595988
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806
N-[[1-(3-amino-3-oxopropyl)indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 3973281
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 5104656
N-[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4665748
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377852
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396339
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395139
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 3983888

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide (CID 6187592) is 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The InChIKey is KNWHHXFZXMHSHJ-LQNQUEJISA-N. The full InChI is InChI=1S/C29H25N3O3/c1-34-23-14-15-26(28(16-23)35-2)29(33)31-30-17-22-19-32(27-13-6-5-12-25(22)27)18-21-10-7-9-20-8-3-4-11-24(20)21/h3-17,19H,18H2,1-2H3,(H,31,33)/b30-17-.
What are the key properties of 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide has a molecular weight of 463.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 6187592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).