N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

C20H21N3O3 — CID 135702130

IUPACN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)COc3ccccc3OC)c[nH]c12
InChIInChI=1S/C20H21N3O3/c1-3-14-7-6-8-16-15(11-21-20(14)16)12-22-23-19(24)13-26-18-10-5-4-9-17(18)25-2/h4-12,21H,3,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyWMDOBLCQEQDKFH-WSDLNYQXSA-N
MW351.41 g/mol
LogP3.27
Rot. Bonds7

About N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 135702130) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID135702130
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)COc3ccccc3OC)c[nH]c12
InChIInChI=1S/C20H21N3O3/c1-3-14-7-6-8-16-15(11-21-20(14)16)12-22-23-19(24)13-26-18-10-5-4-9-17(18)25-2/h4-12,21H,3,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyWMDOBLCQEQDKFH-WSDLNYQXSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.27
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

N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135702182
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217540
2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 922208
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 135702130) is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is CCc1cccc2c(/C=N/NC(=O)COc3ccccc3OC)c[nH]c12.
What is the InChIKey of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WMDOBLCQEQDKFH-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-14-7-6-8-16-15(11-21-20(14)16)12-22-23-19(24)13-26-18-10-5-4-9-17(18)25-2/h4-12,21H,3,13H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 135702130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).