N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

C17H22N4O5 — CID 7666500

IUPACN-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCN(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C17H22N4O5/c1-20(14-7-3-2-4-8-14)17(23)12-26-18-11-16(22)19-13-6-5-9-15(10-13)21(24)25/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,22)/b18-11-
InChIKeyPTBYZXVZOLCSED-WQRHYEAKSA-N
MW362.39 g/mol
LogP2.33
Rot. Bonds7

About N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 7666500) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID7666500
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCN(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C17H22N4O5/c1-20(14-7-3-2-4-8-14)17(23)12-26-18-11-16(22)19-13-6-5-9-15(10-13)21(24)25/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,22)/b18-11-
InChIKeyPTBYZXVZOLCSED-WQRHYEAKSA-N
XLogP2.33
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.33
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

2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 7666686
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
[2-(3-nitroanilino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739338
(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666459
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-nitroanilino)prop-2-enamide
CID 108830307
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667368
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
3-methoxy-N-(3-nitrophenyl)but-2-enamide
CID 54522333
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (CID 7666500) is N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is CN(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is PTBYZXVZOLCSED-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-20(14-7-3-2-4-8-14)17(23)12-26-18-11-16(22)19-13-6-5-9-15(10-13)21(24)25/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,22)/b18-11-.
What are the key properties of N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 362.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 7666500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).