N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide

C13H18N2O5 — CID 78487834

IUPACN-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-4-9(2)14-13(16)8-20-12-6-5-10(19-3)7-11(12)15(17)18/h5-7,9H,4,8H2,1-3H3,(H,14,16)
InChIKeyNBNJUJOVKLKVPO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.90
Rot. Bonds7

About N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide

N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 78487834) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID78487834
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-4-9(2)14-13(16)8-20-12-6-5-10(19-3)7-11(12)15(17)18/h5-7,9H,4,8H2,1-3H3,(H,14,16)
InChIKeyNBNJUJOVKLKVPO-UHFFFAOYSA-N
XLogP1.90
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9388457
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640953

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 78487834) is N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide is CCC(C)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is NBNJUJOVKLKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-9(2)14-13(16)8-20-12-6-5-10(19-3)7-11(12)15(17)18/h5-7,9H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 78487834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).