N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

C26H25N3O2 — CID 1389645

IUPACN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-19-12-14-22(15-13-19)31-18-26(30)28-27-16-24-20(2)29(17-21-8-4-3-5-9-21)25-11-7-6-10-23(24)25/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyCUGJBDHRFZWTEZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.84
Rot. Bonds7

About N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 1389645) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID1389645
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-19-12-14-22(15-13-19)31-18-26(30)28-27-16-24-20(2)29(17-21-8-4-3-5-9-21)25-11-7-6-10-23(24)25/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyCUGJBDHRFZWTEZ-UHFFFAOYSA-N
XLogP4.84
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.84
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-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3533419
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-phenylpropanamide
CID 126026394
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-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(E)-[1-[(3-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144118
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022085

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (CID 1389645) is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is CUGJBDHRFZWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-19-12-14-22(15-13-19)31-18-26(30)28-27-16-24-20(2)29(17-21-8-4-3-5-9-21)25-11-7-6-10-23(24)25/h3-16H,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 411.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1389645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).