N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide

C11H13N3O3 — CID 6272511

IUPACN-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O3/c1-7-4-5-10(6-11(7)14(16)17)8(2)12-13-9(3)15/h4-6H,1-3H3,(H,13,15)/b12-8-
InChIKeyCKQSXSYKEAXLHB-WQLSENKSSA-N
MW235.24 g/mol
LogP1.76
Rot. Bonds3

About N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide

N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 6272511) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
PubChem CID6272511
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O3/c1-7-4-5-10(6-11(7)14(16)17)8(2)12-13-9(3)15/h4-6H,1-3H3,(H,13,15)/b12-8-
InChIKeyCKQSXSYKEAXLHB-WQLSENKSSA-N
XLogP1.76
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
N-(2-acetamidoethyl)-4-methyl-3-nitrobenzamide
CID 30595645
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6034623
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide
CID 7336083
2,5-dimethyl-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929423
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
CID 3288647

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide (CID 6272511) is N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide is CC(=O)N/N=C(/C)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is CKQSXSYKEAXLHB-WQLSENKSSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-4-5-10(6-11(7)14(16)17)8(2)12-13-9(3)15/h4-6H,1-3H3,(H,13,15)/b12-8-.
What are the key properties of N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide?
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 235.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6272511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).