(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C22H24N2O5 — CID 52509495

IUPAC(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C22H24N2O5/c25-21(23-9-8-15-6-7-18-20(13-15)29-12-11-28-18)16-3-1-4-17(14-16)24-22(26)19-5-2-10-27-19/h1,3-4,6-7,13-14,19H,2,5,8-12H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyGEBYVLPIIZGTMD-LJQANCHMSA-N
MW396.44 g/mol
LogP2.55
Rot. Bonds6

About (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 52509495) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID52509495
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C22H24N2O5/c25-21(23-9-8-15-6-7-18-20(13-15)29-12-11-28-18)16-3-1-4-17(14-16)24-22(26)19-5-2-10-27-19/h1,3-4,6-7,13-14,19H,2,5,8-12H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyGEBYVLPIIZGTMD-LJQANCHMSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134002018
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 31941052
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
3-chloro-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide
CID 110787887

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 52509495) is (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is GEBYVLPIIZGTMD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-21(23-9-8-15-6-7-18-20(13-15)29-12-11-28-18)16-3-1-4-17(14-16)24-22(26)19-5-2-10-27-19/h1,3-4,6-7,13-14,19H,2,5,8-12H2,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 52509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).