(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide

C18H20N2O2 — CID 95554001

IUPAC(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-c2cccc3c2CCNC3)c1)C(N)=O
InChIInChI=1S/C18H20N2O2/c1-12(18(19)21)22-15-6-2-4-13(10-15)16-7-3-5-14-11-20-9-8-17(14)16/h2-7,10,12,20H,8-9,11H2,1H3,(H2,19,21)/t12-/m1/s1
InChIKeyWPUNWEHLYKPRPV-GFCCVEGCSA-N
MW296.37 g/mol
LogP2.25
Rot. Bonds4

About (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide

(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide (PubChem CID 95554001) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
PubChem CID95554001
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-c2cccc3c2CCNC3)c1)C(N)=O
InChIInChI=1S/C18H20N2O2/c1-12(18(19)21)22-15-6-2-4-13(10-15)16-7-3-5-14-11-20-9-8-17(14)16/h2-7,10,12,20H,8-9,11H2,1H3,(H2,19,21)/t12-/m1/s1
InChIKeyWPUNWEHLYKPRPV-GFCCVEGCSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
CID 95556788
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
CID 155917601
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
CID 56709051
2-(3-aminophenoxy)propanamide
CID 43115971
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
CID 95188787
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide?
The IUPAC name of (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide (CID 95554001) is (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide is C[C@@H](Oc1cccc(-c2cccc3c2CCNC3)c1)C(N)=O.
What is the InChIKey of (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide?
The InChIKey is WPUNWEHLYKPRPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(18(19)21)22-15-6-2-4-13(10-15)16-7-3-5-14-11-20-9-8-17(14)16/h2-7,10,12,20H,8-9,11H2,1H3,(H2,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide?
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide is sourced from PubChem (CID 95554001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).