N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

C15H19NO4 — CID 6927860

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cccc2c1OCCCO2
InChIInChI=1S/C15H19NO4/c17-15(16-10-11-4-2-7-18-11)12-5-1-6-13-14(12)20-9-3-8-19-13/h1,5-6,11H,2-4,7-10H2,(H,16,17)/t11-/m1/s1
InChIKeyDOYXZHQTAKNYFE-LLVKDONJSA-N
MW277.32 g/mol
LogP1.76
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide (PubChem CID 6927860) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
PubChem CID6927860
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cccc2c1OCCCO2
InChIInChI=1S/C15H19NO4/c17-15(16-10-11-4-2-7-18-11)12-5-1-6-13-14(12)20-9-3-8-19-13/h1,5-6,11H,2-4,7-10H2,(H,16,17)/t11-/m1/s1
InChIKeyDOYXZHQTAKNYFE-LLVKDONJSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[(3-hydroxycyclobutyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 66004684
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N-[2-(cyclopropylmethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 67449687
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide (CID 6927860) is N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide is O=C(NC[C@H]1CCCO1)c1cccc2c1OCCCO2.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide?
The InChIKey is DOYXZHQTAKNYFE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4/c17-15(16-10-11-4-2-7-18-11)12-5-1-6-13-14(12)20-9-3-8-19-13/h1,5-6,11H,2-4,7-10H2,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide is sourced from PubChem (CID 6927860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).