N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

C14H16N2O4 — CID 7578073

IUPACN-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1
InChIInChI=1S/C14H16N2O4/c1-2-3-10-8-12(16(18)19)6-7-13(10)20-9-14(17)15-11-4-5-11/h2,6-8,11H,1,3-5,9H2,(H,15,17)
InChIKeyBWIBARXRAGWHNA-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.98
Rot. Bonds7

About N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (PubChem CID 7578073) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
PubChem CID7578073
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1
InChIInChI=1S/C14H16N2O4/c1-2-3-10-8-12(16(18)19)6-7-13(10)20-9-14(17)15-11-4-5-11/h2,6-8,11H,1,3-5,9H2,(H,15,17)
InChIKeyBWIBARXRAGWHNA-UHFFFAOYSA-N
XLogP1.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
CID 8959522
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
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
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (CID 7578073) is N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The InChIKey is BWIBARXRAGWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-3-10-8-12(16(18)19)6-7-13(10)20-9-14(17)15-11-4-5-11/h2,6-8,11H,1,3-5,9H2,(H,15,17).
What are the key properties of N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide has a molecular weight of 276.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7578073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).