(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide

C21H25NO6 — CID 25130874

IUPAC(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide
SMILESCOc1cccc(OC)c1OCCNC(=O)[C@@H]1COC[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H25NO6/c1-24-16-9-6-10-17(25-2)20(16)27-12-11-22-21(23)19-14-26-13-18(28-19)15-7-4-3-5-8-15/h3-10,18-19H,11-14H2,1-2H3,(H,22,23)/t18-,19-/m0/s1
InChIKeyAAOVHKNGVOXFAM-OALUTQOASA-N
MW387.43 g/mol
LogP2.36
Rot. Bonds8

About (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide

(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide (PubChem CID 25130874) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide
PubChem CID25130874
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide
SMILESCOc1cccc(OC)c1OCCNC(=O)[C@@H]1COC[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H25NO6/c1-24-16-9-6-10-17(25-2)20(16)27-12-11-22-21(23)19-14-26-13-18(28-19)15-7-4-3-5-8-15/h3-10,18-19H,11-14H2,1-2H3,(H,22,23)/t18-,19-/m0/s1
InChIKeyAAOVHKNGVOXFAM-OALUTQOASA-N
XLogP2.36
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide
CID 25132912
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
CID 125176289
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 43009468
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
N-[[(2S,4S)-2-benzyl-1,3-dioxolan-4-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine
CID 11037922
2-(2,6-dimethoxyphenoxy)-N-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]ethanamine
CID 25131193
(3S)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94633935
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide (CID 25130874) is (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide is COc1cccc(OC)c1OCCNC(=O)[C@@H]1COC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide?
The InChIKey is AAOVHKNGVOXFAM-OALUTQOASA-N. The full InChI is InChI=1S/C21H25NO6/c1-24-16-9-6-10-17(25-2)20(16)27-12-11-22-21(23)19-14-26-13-18(28-19)15-7-4-3-5-8-15/h3-10,18-19H,11-14H2,1-2H3,(H,22,23)/t18-,19-/m0/s1.
What are the key properties of (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide?
(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 25130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).