2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide

C17H25ClN2O2 — CID 18094726

IUPAC2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-7-3-4-8-15)20(2)10-11-22-16-9-5-6-14(18)12-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyMVKKCFFTRGFRQP-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.10
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide

2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide (PubChem CID 18094726) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
PubChem CID18094726
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-7-3-4-8-15)20(2)10-11-22-16-9-5-6-14(18)12-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyMVKKCFFTRGFRQP-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100553664
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 55431687
N-[(3-chlorophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100551970
2-[[2-(3-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612030
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511425
2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174937
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100559317
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide (CID 18094726) is 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The InChIKey is MVKKCFFTRGFRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-7-3-4-8-15)20(2)10-11-22-16-9-5-6-14(18)12-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide has a molecular weight of 324.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 18094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).