3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide

C18H28N2O2 — CID 119508902

IUPAC3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-2-19-12-13-20-18(21)11-10-15-6-5-9-17(14-15)22-16-7-3-4-8-16/h5-6,9,14,16,19H,2-4,7-8,10-13H2,1H3,(H,20,21)
InChIKeyOXWZFGYLEGHKAN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds9

About 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide

3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119508902) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119508902
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-2-19-12-13-20-18(21)11-10-15-6-5-9-17(14-15)22-16-7-3-4-8-16/h5-6,9,14,16,19H,2-4,7-8,10-13H2,1H3,(H,20,21)
InChIKeyOXWZFGYLEGHKAN-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
CID 75386019
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
CID 166378121
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
CID 95352740
2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698424
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351
(3-ethylphenoxy)cyclooctane
CID 91220327
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide (CID 119508902) is 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)CCc1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is OXWZFGYLEGHKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-19-12-13-20-18(21)11-10-15-6-5-9-17(14-15)22-16-7-3-4-8-16/h5-6,9,14,16,19H,2-4,7-8,10-13H2,1H3,(H,20,21).
What are the key properties of 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide?
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119508902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).