(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide

C14H22N2O3 — CID 75435721

IUPAC(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N(C)C)cc1CO
InChIInChI=1S/C14H22N2O3/c1-5-19-13-7-6-12(8-11(13)9-17)15-14(18)10(2)16(3)4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyHIQFQHZJZRIYDA-JTQLQIEISA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide

(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (PubChem CID 75435721) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
PubChem CID75435721
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N(C)C)cc1CO
InChIInChI=1S/C14H22N2O3/c1-5-19-13-7-6-12(8-11(13)9-17)15-14(18)10(2)16(3)4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyHIQFQHZJZRIYDA-JTQLQIEISA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (CID 75435721) is (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide is CCOc1ccc(NC(=O)[C@H](C)N(C)C)cc1CO.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is HIQFQHZJZRIYDA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-19-13-7-6-12(8-11(13)9-17)15-14(18)10(2)16(3)4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
(2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 75435721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).