2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide

C20H18N4O2 — CID 135702182

IUPAC2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)COc3ccc(C#N)cc3)c[nH]c12
InChIInChI=1S/C20H18N4O2/c1-2-15-4-3-5-18-16(11-22-20(15)18)12-23-24-19(25)13-26-17-8-6-14(10-21)7-9-17/h3-9,11-12,22H,2,13H2,1H3,(H,24,25)/b23-12+
InChIKeyFMRYLXVHIDWRQO-FSJBWODESA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135702182) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135702182
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)COc3ccc(C#N)cc3)c[nH]c12
InChIInChI=1S/C20H18N4O2/c1-2-15-4-3-5-18-16(11-22-20(15)18)12-23-24-19(25)13-26-17-8-6-14(10-21)7-9-17/h3-9,11-12,22H,2,13H2,1H3,(H,24,25)/b23-12+
InChIKeyFMRYLXVHIDWRQO-FSJBWODESA-N
XLogP3.13
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
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]-2-(2-methoxyphenoxy)acetamide
CID 135702130
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
4-[4-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670497
(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
CID 137021976
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135702182) is 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide is CCc1cccc2c(/C=N/NC(=O)COc3ccc(C#N)cc3)c[nH]c12.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is FMRYLXVHIDWRQO-FSJBWODESA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-15-4-3-5-18-16(11-22-20(15)18)12-23-24-19(25)13-26-17-8-6-14(10-21)7-9-17/h3-9,11-12,22H,2,13H2,1H3,(H,24,25)/b23-12+.
What are the key properties of 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135702182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).