N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide

C14H18N2O5 — CID 60708304

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)C(NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H18N2O5/c1-9(2)14(10(3)17)15-13(18)8-21-12-6-4-11(5-7-12)16(19)20/h4-7,9,14H,8H2,1-3H3,(H,15,18)
InChIKeyHTMAUUWQSCYCIS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.70
Rot. Bonds7

About N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 60708304) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID60708304
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)C(NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H18N2O5/c1-9(2)14(10(3)17)15-13(18)8-21-12-6-4-11(5-7-12)16(19)20/h4-7,9,14H,8H2,1-3H3,(H,15,18)
InChIKeyHTMAUUWQSCYCIS-UHFFFAOYSA-N
XLogP1.70
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.70
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-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
2-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 55849368
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide (CID 60708304) is N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide is CC(=O)C(NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is HTMAUUWQSCYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(2)14(10(3)17)15-13(18)8-21-12-6-4-11(5-7-12)16(19)20/h4-7,9,14H,8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 60708304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).