N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide

C18H17N3O2 — CID 90005294

IUPACN-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-3-5-17(13)23-12-18(22)21-20-11-14-6-7-15-8-9-19-16(15)10-14/h2-11,19H,12H2,1H3,(H,21,22)/b20-11+
InChIKeyNGZNBESNHKZFAV-RGVLZGJSSA-N
MW307.35 g/mol
LogP3.01
Rot. Bonds5

About N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 90005294) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID90005294
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-3-5-17(13)23-12-18(22)21-20-11-14-6-7-15-8-9-19-16(15)10-14/h2-11,19H,12H2,1H3,(H,21,22)/b20-11+
InChIKeyNGZNBESNHKZFAV-RGVLZGJSSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide
CID 73426775
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6025641
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136794053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide (CID 90005294) is N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C/c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is NGZNBESNHKZFAV-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-4-2-3-5-17(13)23-12-18(22)21-20-11-14-6-7-15-8-9-19-16(15)10-14/h2-11,19H,12H2,1H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90005294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).