N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide

C25H23N3O2 — CID 6863364

IUPACN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-19-9-5-8-14-24(19)30-18-25(29)27-26-15-21-17-28(16-20-10-3-2-4-11-20)23-13-7-6-12-22(21)23/h2-15,17H,16,18H2,1H3,(H,27,29)/b26-15+
InChIKeyXVPXFBCQLQJBPA-CVKSISIWSA-N
MW397.48 g/mol
LogP4.53
Rot. Bonds7

About N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 6863364) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID6863364
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-19-9-5-8-14-24(19)30-18-25(29)27-26-15-21-17-28(16-20-10-3-2-4-11-20)23-13-7-6-12-22(21)23/h2-15,17H,16,18H2,1H3,(H,27,29)/b26-15+
InChIKeyXVPXFBCQLQJBPA-CVKSISIWSA-N
XLogP4.53
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.53
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'}

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Related Compounds

N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-hydroxymethyl-phenoxy)-acetamide
CID 11756257
1N-{2-(1H-3-indolyl)-1-[2-methoxybenzyl(methyl)carboxamidomethyl]ethyl}-2-(4-hydroxymethylphenoxy)acetamide
CID 18709649
methyl (2E)-2-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6880792
2-(4-fluorophenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895257
N-(9-ethyl-9H-carbazol-3-yl)-2-phenoxyacetamide
CID 1717907
N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
CID 2809950
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
CID 4200910
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
CID 4606333
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 5340170
2-(4-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895235
2-{[1,1'-biphenyl]-2-yloxy}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9556721

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 6863364) is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is XVPXFBCQLQJBPA-CVKSISIWSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-19-9-5-8-14-24(19)30-18-25(29)27-26-15-21-17-28(16-20-10-3-2-4-11-20)23-13-7-6-12-22(21)23/h2-15,17H,16,18H2,1H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 6863364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).