N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide

C17H26N2O2 — CID 60654093

IUPACN-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
SMILESCc1cccc(OCCNC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-5-9-16(12-13)21-11-10-18-14(2)17(20)19-15-7-3-4-8-15/h5-6,9,12,14-15,18H,3-4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyBJSFFSYIIIQYPW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds7

About N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide

N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide (PubChem CID 60654093) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
PubChem CID60654093
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
SMILESCc1cccc(OCCNC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-5-9-16(12-13)21-11-10-18-14(2)17(20)19-15-7-3-4-8-15/h5-6,9,12,14-15,18H,3-4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyBJSFFSYIIIQYPW-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
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

(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
3-[2-[[(1S)-1-cyclopentylethyl]amino]ethoxy]benzoic acid
CID 103259942
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide (CID 60654093) is N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide is Cc1cccc(OCCNC(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide?
The InChIKey is BJSFFSYIIIQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-5-9-16(12-13)21-11-10-18-14(2)17(20)19-15-7-3-4-8-15/h5-6,9,12,14-15,18H,3-4,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide?
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide is sourced from PubChem (CID 60654093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).