N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide

C17H17N3O5 — CID 5382681

IUPACN-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide
SMILESCOc1cccc(/C=N\OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H17N3O5/c1-24-16-4-2-3-13(11-16)12-19-25-10-9-18-17(21)14-5-7-15(8-6-14)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,18,21)/b19-12-
InChIKeyRIAFKWNXKGAUAM-UNOMPAQXSA-N
MW343.34 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide

N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide (PubChem CID 5382681) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide
PubChem CID5382681
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide
SMILESCOc1cccc(/C=N\OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H17N3O5/c1-24-16-4-2-3-13(11-16)12-19-25-10-9-18-17(21)14-5-7-15(8-6-14)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,18,21)/b19-12-
InChIKeyRIAFKWNXKGAUAM-UNOMPAQXSA-N
XLogP2.38
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
(3-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 32713096
3-methoxy-N-[3-(4-nitroanilino)propyl]benzamide
CID 585373
4-methoxy-N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4998778
3-methoxy-N-[6-(4-nitroanilino)hexyl]benzamide
CID 42704469
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide (CID 5382681) is N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide is COc1cccc(/C=N\OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide?
The InChIKey is RIAFKWNXKGAUAM-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-16-4-2-3-13(11-16)12-19-25-10-9-18-17(21)14-5-7-15(8-6-14)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,18,21)/b19-12-.
What are the key properties of N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide?
N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide is sourced from PubChem (CID 5382681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).