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

C19H18N4O4 — CID 1040215

IUPACN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1c(C=NNC(=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)
InChIKeyNABMDQDAWPYUPV-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.92
Rot. Bonds6

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

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 1040215) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID1040215
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1c(C=NNC(=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)
InChIKeyNABMDQDAWPYUPV-UHFFFAOYSA-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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Related Compounds

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 50856366
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 4266153
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1240252
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 1040215) is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is Cc1c(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is NABMDQDAWPYUPV-UHFFFAOYSA-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).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(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-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1040215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).