N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide

C15H19NO3 — CID 63324573

IUPACN-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCCC2)c(C=O)c1
InChIInChI=1S/C15H19NO3/c1-11-6-7-14(12(8-11)9-17)19-10-15(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyKFBYMTFLPIVOBQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide

N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide (PubChem CID 63324573) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
PubChem CID63324573
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCCC2)c(C=O)c1
InChIInChI=1S/C15H19NO3/c1-11-6-7-14(12(8-11)9-17)19-10-15(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyKFBYMTFLPIVOBQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7819985
2-(4-bromo-2-formylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7819987
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide (CID 63324573) is N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCCC2)c(C=O)c1.
What is the InChIKey of N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide?
The InChIKey is KFBYMTFLPIVOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-7-14(12(8-11)9-17)19-10-15(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide?
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 63324573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).