N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide

C18H27NO2 — CID 78853312

IUPACN-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide
SMILESCCN(C(=O)CCCOc1ccccc1C)C1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(16-10-5-6-11-16)18(20)13-8-14-21-17-12-7-4-9-15(17)2/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3
InChIKeyYYHRQMVLCOBOMO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.95
Rot. Bonds7

About N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide

N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide (PubChem CID 78853312) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide
PubChem CID78853312
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide
SMILESCCN(C(=O)CCCOc1ccccc1C)C1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(16-10-5-6-11-16)18(20)13-8-14-21-17-12-7-4-9-15(17)2/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3
InChIKeyYYHRQMVLCOBOMO-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 127115901
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
4-chloro-N-cyclohexyl-N-ethylbutanamide
CID 13048749
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
1-[2-[(dimethylamino)methyl]piperidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 60592852

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide (CID 78853312) is N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide is CCN(C(=O)CCCOc1ccccc1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide?
The InChIKey is YYHRQMVLCOBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19(16-10-5-6-11-16)18(20)13-8-14-21-17-12-7-4-9-15(17)2/h4,7,9,12,16H,3,5-6,8,10-11,13-14H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide?
N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 78853312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).