N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide

C17H25NO3 — CID 78781833

IUPACN-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CCCC1
InChIInChI=1S/C17H25NO3/c1-2-20-15-10-5-6-11-16(15)21-13-7-12-17(19)18-14-8-3-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,18,19)
InChIKeySBGWICKFZLVXQP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.30
Rot. Bonds8

About N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide

N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide (PubChem CID 78781833) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
PubChem CID78781833
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CCCC1
InChIInChI=1S/C17H25NO3/c1-2-20-15-10-5-6-11-16(15)21-13-7-12-17(19)18-14-8-3-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,18,19)
InChIKeySBGWICKFZLVXQP-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
CID 119459385
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N'-[4-(2-ethoxyphenoxy)butanoyl]cyclohexanecarbohydrazide
CID 9327136
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide (CID 78781833) is N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is SBGWICKFZLVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-20-15-10-5-6-11-16(15)21-13-7-12-17(19)18-14-8-3-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide?
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 291.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 78781833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).