N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide

C15H20N2O4 — CID 115880765

IUPACN-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
SMILESCC1(C)CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(2)8-7-11(9-15)16-14(18)10-21-13-5-3-12(4-6-13)17(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyMJGGXFABRGUYDO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.67
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide

N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 115880765) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
PubChem CID115880765
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
SMILESCC1(C)CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(2)8-7-11(9-15)16-14(18)10-21-13-5-3-12(4-6-13)17(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyMJGGXFABRGUYDO-UHFFFAOYSA-N
XLogP2.67
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 27015551
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
CID 4212692
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
CID 115880925

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide (CID 115880765) is N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide is CC1(C)CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is MJGGXFABRGUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)8-7-11(9-15)16-14(18)10-21-13-5-3-12(4-6-13)17(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide?
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 115880765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).