(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide

C17H25ClN2O2 — CID 7830989

IUPAC(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-5-3-4-6-15)20(2)11-12-22-16-9-7-14(18)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyMKDBSRGIDGUCLM-ZDUSSCGKSA-N
MW324.85 g/mol
LogP3.10
Rot. Bonds7

About (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide

(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide (PubChem CID 7830989) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
PubChem CID7830989
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-5-3-4-6-15)20(2)11-12-22-16-9-7-14(18)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyMKDBSRGIDGUCLM-ZDUSSCGKSA-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

2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
N-benzyl-4-(4-chlorophenoxy)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]butanamide
CID 132613775
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612046
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide (CID 7830989) is (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide is C[C@@H](C(=O)NC1CCCC1)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
The InChIKey is MKDBSRGIDGUCLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-5-3-4-6-15)20(2)11-12-22-16-9-7-14(18)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide?
(2S)-2-[2-(4-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 (2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 7830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).