N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

C18H17N3O7 — CID 7578589

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O7/c1-3-4-12-9-13(20(23)24)5-8-17(12)28-11-18(22)19-15-7-6-14(27-2)10-16(15)21(25)26/h3,5-10H,1,4,11H2,2H3,(H,19,22)
InChIKeyZYPCNCNPKUQROG-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.26
Rot. Bonds9

About N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (PubChem CID 7578589) has the molecular formula C18H17N3O7 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
PubChem CID7578589
Molecular FormulaC18H17N3O7
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O7/c1-3-4-12-9-13(20(23)24)5-8-17(12)28-11-18(22)19-15-7-6-14(27-2)10-16(15)21(25)26/h3,5-10H,1,4,11H2,2H3,(H,19,22)
InChIKeyZYPCNCNPKUQROG-UHFFFAOYSA-N
XLogP3.26
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (CID 7578589) is N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The InChIKey is ZYPCNCNPKUQROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O7/c1-3-4-12-9-13(20(23)24)5-8-17(12)28-11-18(22)19-15-7-6-14(27-2)10-16(15)21(25)26/h3,5-10H,1,4,11H2,2H3,(H,19,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide has a molecular weight of 387.35 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7578589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).