N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide

C25H23N3O2 — CID 6883031

IUPACN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-18-23(16-26-27-25(29)20-12-14-21(30-2)15-13-20)22-10-6-7-11-24(22)28(18)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,27,29)/b26-16+
InChIKeyIKYOFTVPRODDIH-WGOQTCKBSA-N
MW397.48 g/mol
LogP4.77
Rot. Bonds6

About N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide

N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 6883031) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
PubChem CID6883031
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-18-23(16-26-27-25(29)20-12-14-21(30-2)15-13-20)22-10-6-7-11-24(22)28(18)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,27,29)/b26-16+
InChIKeyIKYOFTVPRODDIH-WGOQTCKBSA-N
XLogP4.77
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
CID 95395790
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645
N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
CID 92659209
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide (CID 6883031) is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is IKYOFTVPRODDIH-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-23(16-26-27-25(29)20-12-14-21(30-2)15-13-20)22-10-6-7-11-24(22)28(18)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,27,29)/b26-16+.
What are the key properties of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 6883031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).