4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide

C23H25N3O4 — CID 172924330

IUPAC4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H25N3O4/c1-15-18(17-7-5-6-8-19(17)26(15)2)14-24-25-23(28)12-10-20(27)16-9-11-21(29-3)22(13-16)30-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,25,28)/b24-14+
InChIKeyXGVSBGLGKRDKNN-ZVHZXABRSA-N
MW407.47 g/mol
LogP3.62
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide

4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide (PubChem CID 172924330) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
PubChem CID172924330
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H25N3O4/c1-15-18(17-7-5-6-8-19(17)26(15)2)14-24-25-23(28)12-10-20(27)16-9-11-21(29-3)22(13-16)30-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,25,28)/b24-14+
InChIKeyXGVSBGLGKRDKNN-ZVHZXABRSA-N
XLogP3.62
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
4-(3,4-dimethoxyphenyl)-N-[(E)-isoquinolin-4-ylmethylideneamino]-4-oxobutanamide
CID 172973567
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392
methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
CID 3695535
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide (CID 172924330) is 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide?
The InChIKey is XGVSBGLGKRDKNN-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-18(17-7-5-6-8-19(17)26(15)2)14-24-25-23(28)12-10-20(27)16-9-11-21(29-3)22(13-16)30-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,25,28)/b24-14+.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide?
4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide has a molecular weight of 407.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide is sourced from PubChem (CID 172924330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).