N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C19H18N4O4 — CID 6864446

IUPACN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C
InChIInChI=1S/C19H18N4O4/c1-13-15(14-7-3-4-8-16(14)22(13)2)11-20-21-19(24)12-27-18-10-6-5-9-17(18)23(25)26/h3-11H,12H2,1-2H3,(H,21,24)/b20-11+
InChIKeyNABMDQDAWPYUPV-RGVLZGJSSA-N
MW366.38 g/mol
LogP2.92
Rot. Bonds6

About N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 6864446) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID6864446
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C
InChIInChI=1S/C19H18N4O4/c1-13-15(14-7-3-4-8-16(14)22(13)2)11-20-21-19(24)12-27-18-10-6-5-9-17(18)23(25)26/h3-11H,12H2,1-2H3,(H,21,24)/b20-11+
InChIKeyNABMDQDAWPYUPV-RGVLZGJSSA-N
XLogP2.92
TPSA98.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 6864446) is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is Cc1c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C.
What is the InChIKey of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is NABMDQDAWPYUPV-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-13-15(14-7-3-4-8-16(14)22(13)2)11-20-21-19(24)12-27-18-10-6-5-9-17(18)23(25)26/h3-11H,12H2,1-2H3,(H,21,24)/b20-11+.
What are the key properties of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 6864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).