3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide

C25H23N3O4 — CID 137166777

IUPAC3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C25H23N3O4/c1-30-18-9-10-23-21(14-18)22(24(27-23)16-7-5-4-6-8-16)15-26-28-25(29)17-11-19(31-2)13-20(12-17)32-3/h4-15,27H,1-3H3,(H,28,29)/b26-15-
InChIKeyKHCIDBYMQWNOEF-YSMPRRRNSA-N
MW429.48 g/mol
LogP4.62
Rot. Bonds7

About 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide

3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 137166777) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID137166777
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C25H23N3O4/c1-30-18-9-10-23-21(14-18)22(24(27-23)16-7-5-4-6-8-16)15-26-28-25(29)17-11-19(31-2)13-20(12-17)32-3/h4-15,27H,1-3H3,(H,28,29)/b26-15-
InChIKeyKHCIDBYMQWNOEF-YSMPRRRNSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
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

4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile
CID 23861723
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
CID 137029695
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411
3-nitro-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135590888
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
3-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891442

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide (CID 137166777) is 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide is COc1cc(OC)cc(C(=O)N/N=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is KHCIDBYMQWNOEF-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-18-9-10-23-21(14-18)22(24(27-23)16-7-5-4-6-8-16)15-26-28-25(29)17-11-19(31-2)13-20(12-17)32-3/h4-15,27H,1-3H3,(H,28,29)/b26-15-.
What are the key properties of 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide?
3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 137166777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).