(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide

C19H21NO4 — CID 25132912

IUPAC(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@@H]1COC[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO4/c21-19(20-11-12-23-16-9-5-2-6-10-16)18-14-22-13-17(24-18)15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,20,21)/t17-,18-/m0/s1
InChIKeySMQWSAQBVSSWLT-ROUUACIJSA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds6

About (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide

(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide (PubChem CID 25132912) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide
PubChem CID25132912
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@@H]1COC[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO4/c21-19(20-11-12-23-16-9-5-2-6-10-16)18-14-22-13-17(24-18)15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,20,21)/t17-,18-/m0/s1
InChIKeySMQWSAQBVSSWLT-ROUUACIJSA-N
XLogP2.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-6-phenyl-1,4-dioxane-2-carboxamide
CID 25130874
2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
CID 25130878
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
oxalic acid;2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
CID 25133238
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911446
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide (CID 25132912) is (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide is O=C(NCCOc1ccccc1)[C@@H]1COC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide?
The InChIKey is SMQWSAQBVSSWLT-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21NO4/c21-19(20-11-12-23-16-9-5-2-6-10-16)18-14-22-13-17(24-18)15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,20,21)/t17-,18-/m0/s1.
What are the key properties of (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide?
(2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-(2-phenoxyethyl)-6-phenyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 25132912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).