N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

C14H16N4O6 — CID 7667368

IUPACN-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)NC1CC1
InChIInChI=1S/C14H16N4O6/c1-23-12-6-10(18(21)22)4-5-11(12)17-13(19)7-15-24-8-14(20)16-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,19)/b15-7-
InChIKeyWSNPCKOUSVVUCI-CHHVJCJISA-N
MW336.30 g/mol
LogP0.82
Rot. Bonds8

About N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 7667368) has the molecular formula C14H16N4O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID7667368
Molecular FormulaC14H16N4O6
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC NameN-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)NC1CC1
InChIInChI=1S/C14H16N4O6/c1-23-12-6-10(18(21)22)4-5-11(12)17-13(19)7-15-24-8-14(20)16-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,19)/b15-7-
InChIKeyWSNPCKOUSVVUCI-CHHVJCJISA-N
XLogP0.82
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
CID 7667489
(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
CID 7667491
N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667509
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
CID 7666999
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (CID 7667368) is N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is WSNPCKOUSVVUCI-CHHVJCJISA-N. The full InChI is InChI=1S/C14H16N4O6/c1-23-12-6-10(18(21)22)4-5-11(12)17-13(19)7-15-24-8-14(20)16-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,19)/b15-7-.
What are the key properties of N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 336.30 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 7667368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).