N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide

C14H18N2O4 — CID 114549924

IUPACN-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
SMILESCC1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18N2O4/c1-10-5-6-11(7-10)15-14(17)9-20-13-4-2-3-12(8-13)16(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,15,17)
InChIKeyQAFVLAWZKYNKFA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.28
Rot. Bonds5

About N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide

N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 114549924) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
PubChem CID114549924
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
SMILESCC1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18N2O4/c1-10-5-6-11(7-10)15-14(17)9-20-13-4-2-3-12(8-13)16(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,15,17)
InChIKeyQAFVLAWZKYNKFA-UHFFFAOYSA-N
XLogP2.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.28
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-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
CID 95179514
N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
CID 95179512
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
1-(2,6-dimethylpiperidin-1-yl)-2-(3-nitrophenoxy)ethanone
CID 78762245
N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
CID 46408206
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-nitrophenoxy)acetamide
CID 7865319

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide (CID 114549924) is N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide is CC1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is QAFVLAWZKYNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-5-6-11(7-10)15-14(17)9-20-13-4-2-3-12(8-13)16(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,15,17).
What are the key properties of N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide?
N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 114549924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).