2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide

C20H21N3O3 — CID 71893960

IUPAC2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H21N3O3/c1-12-4-6-17(8-13(12)2)26-11-20(25)23-22-14(3)15-5-7-18-16(9-15)10-19(24)21-18/h4-9H,10-11H2,1-3H3,(H,21,24)(H,23,25)
InChIKeySUEXTWIJNUJVLG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.72
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide

2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide (PubChem CID 71893960) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide
PubChem CID71893960
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H21N3O3/c1-12-4-6-17(8-13(12)2)26-11-20(25)23-22-14(3)15-5-7-18-16(9-15)10-19(24)21-18/h4-9H,10-11H2,1-3H3,(H,21,24)(H,23,25)
InChIKeySUEXTWIJNUJVLG-UHFFFAOYSA-N
XLogP2.72
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
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

2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
CID 46741808
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
2-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 6178293
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide (CID 71893960) is 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide?
The InChIKey is SUEXTWIJNUJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-4-6-17(8-13(12)2)26-11-20(25)23-22-14(3)15-5-7-18-16(9-15)10-19(24)21-18/h4-9H,10-11H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide?
2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide is sourced from PubChem (CID 71893960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).