N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide

C15H19N3O5 — CID 8959522

IUPACN,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H19N3O5/c1-4-5-11-8-12(18(21)22)6-7-13(11)23-10-14(19)16-9-15(20)17(2)3/h4,6-8H,1,5,9-10H2,2-3H3,(H,16,19)
InChIKeyFKHWUFIWNSHQHQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.91
Rot. Bonds8

About N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide

N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide (PubChem CID 8959522) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
PubChem CID8959522
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H19N3O5/c1-4-5-11-8-12(18(21)22)6-7-13(11)23-10-14(19)16-9-15(20)17(2)3/h4,6-8H,1,5,9-10H2,2-3H3,(H,16,19)
InChIKeyFKHWUFIWNSHQHQ-UHFFFAOYSA-N
XLogP0.91
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
ethyl 4-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 7631754
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589
N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
CID 9480592
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
4-nitro-1-(4-nitro-2-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 87648427

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide (CID 8959522) is N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide is C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide?
The InChIKey is FKHWUFIWNSHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-4-5-11-8-12(18(21)22)6-7-13(11)23-10-14(19)16-9-15(20)17(2)3/h4,6-8H,1,5,9-10H2,2-3H3,(H,16,19).
What are the key properties of N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide?
N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide has a molecular weight of 321.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).