(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide

C18H28N2O4 — CID 124961584

IUPAC(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCOc1ccc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO
InChIInChI=1S/C18H28N2O4/c1-5-23-16-7-6-14(10-15(16)12-21)11-20-8-9-24-18(2,13-20)17(22)19(3)4/h6-7,10,21H,5,8-9,11-13H2,1-4H3/t18-/m1/s1
InChIKeyHCPZAURBCKNQSO-GOSISDBHSA-N
MW336.43 g/mol
LogP1.26
Rot. Bonds6

About (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide

(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide (PubChem CID 124961584) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
PubChem CID124961584
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCOc1ccc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO
InChIInChI=1S/C18H28N2O4/c1-5-23-16-7-6-14(10-15(16)12-21)11-20-8-9-24-18(2,13-20)17(22)19(3)4/h6-7,10,21H,5,8-9,11-13H2,1-4H3/t18-/m1/s1
InChIKeyHCPZAURBCKNQSO-GOSISDBHSA-N
XLogP1.26
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
(3aR,7aR)-2-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340453
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70775733
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124982186

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide (CID 124961584) is (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide is CCOc1ccc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO.
What is the InChIKey of (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The InChIKey is HCPZAURBCKNQSO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-23-16-7-6-14(10-15(16)12-21)11-20-8-9-24-18(2,13-20)17(22)19(3)4/h6-7,10,21H,5,8-9,11-13H2,1-4H3/t18-/m1/s1.
What are the key properties of (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124961584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).