(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide

C14H22N2O3 — CID 110027696

IUPAC(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
SMILESCc1ccc(OCC(O)CN(C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-13(7-5-10)19-9-12(17)8-16(3)11(2)14(15)18/h4-7,11-12,17H,8-9H2,1-3H3,(H2,15,18)/t11-,12?/m1/s1
InChIKeyGNYXNAZUCVAZFL-JHJMLUEUSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds7

About (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide

(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide (PubChem CID 110027696) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
PubChem CID110027696
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
SMILESCc1ccc(OCC(O)CN(C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10-4-6-13(7-5-10)19-9-12(17)8-16(3)11(2)14(15)18/h4-7,11-12,17H,8-9H2,1-3H3,(H2,15,18)/t11-,12?/m1/s1
InChIKeyGNYXNAZUCVAZFL-JHJMLUEUSA-N
XLogP0.54
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 59432769
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;(4-methylphenyl)-phenylmethanone
CID 158757358
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
CID 59029912
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
(1-amino-1-oxopropan-2-yl) 3-(4-methylphenoxy)propanoate
CID 42901568
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide?
The IUPAC name of (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide (CID 110027696) is (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide?
The canonical SMILES for (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide is Cc1ccc(OCC(O)CN(C)[C@H](C)C(N)=O)cc1.
What is the InChIKey of (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide?
The InChIKey is GNYXNAZUCVAZFL-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-6-13(7-5-10)19-9-12(17)8-16(3)11(2)14(15)18/h4-7,11-12,17H,8-9H2,1-3H3,(H2,15,18)/t11-,12?/m1/s1.
What are the key properties of (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide?
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide is sourced from PubChem (CID 110027696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).