(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide

C21H24N2O4 — CID 22799987

IUPAC(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1Oc2ccccc2[C@H](c2ccccc2)O1
InChIInChI=1S/C21H24N2O4/c24-20(22-10-11-23-12-14-25-15-13-23)21-26-18-9-5-4-8-17(18)19(27-21)16-6-2-1-3-7-16/h1-9,19,21H,10-15H2,(H,22,24)/t19-,21-/m0/s1
InChIKeyCBEZZRUBRVQUTH-FPOVZHCZSA-N
MW368.43 g/mol
LogP1.96
Rot. Bonds5

About (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide

(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide (PubChem CID 22799987) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide
PubChem CID22799987
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1Oc2ccccc2[C@H](c2ccccc2)O1
InChIInChI=1S/C21H24N2O4/c24-20(22-10-11-23-12-14-25-15-13-23)21-26-18-9-5-4-8-17(18)19(27-21)16-6-2-1-3-7-16/h1-9,19,21H,10-15H2,(H,22,24)/t19-,21-/m0/s1
InChIKeyCBEZZRUBRVQUTH-FPOVZHCZSA-N
XLogP1.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-morpholin-4-ylethylcarbamoyl)benzamide
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(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
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N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide (CID 22799987) is (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide is O=C(NCCN1CCOCC1)[C@H]1Oc2ccccc2[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide?
The InChIKey is CBEZZRUBRVQUTH-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(22-10-11-23-12-14-25-15-13-23)21-26-18-9-5-4-8-17(18)19(27-21)16-6-2-1-3-7-16/h1-9,19,21H,10-15H2,(H,22,24)/t19-,21-/m0/s1.
What are the key properties of (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide?
(2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2-morpholin-4-ylethyl)-4-phenyl-4H-1,3-benzodioxine-2-carboxamide is sourced from PubChem (CID 22799987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).