(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide

C16H20N4O5 — CID 7666200

IUPAC(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
SMILESO=C(/C=N\OCC(=O)N1CCCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H20N4O5/c21-15(18-13-6-5-7-14(10-13)20(23)24)11-17-25-12-16(22)19-8-3-1-2-4-9-19/h5-7,10-11H,1-4,8-9,12H2,(H,18,21)/b17-11-
InChIKeyALWQFJGPRZSIRZ-BOPFTXTBSA-N
MW348.36 g/mol
LogP1.94
Rot. Bonds6

About (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide

(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide (PubChem CID 7666200) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
PubChem CID7666200
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
SMILESO=C(/C=N\OCC(=O)N1CCCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H20N4O5/c21-15(18-13-6-5-7-14(10-13)20(23)24)11-17-25-12-16(22)19-8-3-1-2-4-9-19/h5-7,10-11H,1-4,8-9,12H2,(H,18,21)/b17-11-
InChIKeyALWQFJGPRZSIRZ-BOPFTXTBSA-N
XLogP1.94
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.94
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

(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370
N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666500
2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 7666686
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666459
[2-(azocan-1-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 9290974
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253438
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3456323
1-(azepan-1-yl)-2-[(E)-benzylideneamino]oxyethanone
CID 56692418
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
[2-(3-nitroanilino)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 3279266
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The IUPAC name of (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide (CID 7666200) is (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The canonical SMILES for (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide is O=C(/C=N\OCC(=O)N1CCCCCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
The InChIKey is ALWQFJGPRZSIRZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H20N4O5/c21-15(18-13-6-5-7-14(10-13)20(23)24)11-17-25-12-16(22)19-8-3-1-2-4-9-19/h5-7,10-11H,1-4,8-9,12H2,(H,18,21)/b17-11-.
What are the key properties of (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide?
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 7666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).