(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide

C13H19ClN2O2 — CID 41368435

IUPAC(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C13H19ClN2O2/c1-10(13(17)15-8-9-16(2)3)18-12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyOHVNMUXPEOJAAV-SNVBAGLBSA-N
MW270.76 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide

(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 41368435) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID41368435
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C13H19ClN2O2/c1-10(13(17)15-8-9-16(2)3)18-12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyOHVNMUXPEOJAAV-SNVBAGLBSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
CID 108572712
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide (CID 41368435) is (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN(C)C.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is OHVNMUXPEOJAAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(13(17)15-8-9-16(2)3)18-12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 41368435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).