N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide

C13H16N2O5 — CID 115668936

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCC1(O)CCC1
InChIInChI=1S/C13H16N2O5/c16-12(14-9-13(17)6-3-7-13)8-20-11-5-2-1-4-10(11)15(18)19/h1-2,4-5,17H,3,6-9H2,(H,14,16)
InChIKeyBZVUPABEEDMWBT-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.00
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 115668936) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
PubChem CID115668936
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCC1(O)CCC1
InChIInChI=1S/C13H16N2O5/c16-12(14-9-13(17)6-3-7-13)8-20-11-5-2-1-4-10(11)15(18)19/h1-2,4-5,17H,3,6-9H2,(H,14,16)
InChIKeyBZVUPABEEDMWBT-UHFFFAOYSA-N
XLogP1.00
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
CID 111331433
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide (CID 115668936) is N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is BZVUPABEEDMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-12(14-9-13(17)6-3-7-13)8-20-11-5-2-1-4-10(11)15(18)19/h1-2,4-5,17H,3,6-9H2,(H,14,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 115668936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).