(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide

C14H17NO4 — CID 9451672

IUPAC(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCO1
InChIInChI=1S/C14H17NO4/c16-14(12-3-1-6-18-12)15-10-4-5-11-13(9-10)19-8-2-7-17-11/h4-5,9,12H,1-3,6-8H2,(H,15,16)/t12-/m1/s1
InChIKeyYSBXZOVSMFYABR-GFCCVEGCSA-N
MW263.29 g/mol
LogP1.97
Rot. Bonds2

About (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide

(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide (PubChem CID 9451672) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
PubChem CID9451672
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCO1
InChIInChI=1S/C14H17NO4/c16-14(12-3-1-6-18-12)15-10-4-5-11-13(9-10)19-8-2-7-17-11/h4-5,9,12H,1-3,6-8H2,(H,15,16)/t12-/m1/s1
InChIKeyYSBXZOVSMFYABR-GFCCVEGCSA-N
XLogP1.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 37396247
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
CID 29365241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3867871
(2S)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)oxolane-2-carboxamide
CID 40957932
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
trans-(1S,2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropane-1-carboxamide
CID 30795803
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide
CID 110413097
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide (CID 9451672) is (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide?
The InChIKey is YSBXZOVSMFYABR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(12-3-1-6-18-12)15-10-4-5-11-13(9-10)19-8-2-7-17-11/h4-5,9,12H,1-3,6-8H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide?
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 9451672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).