N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide

C13H16N2O2 — CID 91909393

IUPACN-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CNCCO2)C1CC1
InChIInChI=1S/C13H16N2O2/c16-13(9-1-2-9)15-11-3-4-12-10(7-11)8-14-5-6-17-12/h3-4,7,9,14H,1-2,5-6,8H2,(H,15,16)
InChIKeyZBQNLFRQIDILGM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.52
Rot. Bonds2

About N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide

N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide (PubChem CID 91909393) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
PubChem CID91909393
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CNCCO2)C1CC1
InChIInChI=1S/C13H16N2O2/c16-13(9-1-2-9)15-11-3-4-12-10(7-11)8-14-5-6-17-12/h3-4,7,9,14H,1-2,5-6,8H2,(H,15,16)
InChIKeyZBQNLFRQIDILGM-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
CID 63901725
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166178285
2-methyl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 128765116
N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 122485771
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
1-(2-cyclopropyl-2-methylpropyl)-3-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea;2,2,2-trifluoroacetic acid
CID 136576182
2-methyl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinoline-6-carboxamide
CID 166336751
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ol;hydrochloride
CID 122164454

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide (CID 91909393) is N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide is O=C(Nc1ccc2c(c1)CNCCO2)C1CC1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide?
The InChIKey is ZBQNLFRQIDILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(9-1-2-9)15-11-3-4-12-10(7-11)8-14-5-6-17-12/h3-4,7,9,14H,1-2,5-6,8H2,(H,15,16).
What are the key properties of N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide?
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide is sourced from PubChem (CID 91909393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).