N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide

C17H23NO2 — CID 110471677

IUPACN-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(13-7-2-1-3-8-13)18-15-10-6-12-20-16-11-5-4-9-14(15)16/h4-5,9,11,13,15H,1-3,6-8,10,12H2,(H,18,19)
InChIKeyRPGPDRYWZSPHBL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.60
Rot. Bonds2

About N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide

N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide (PubChem CID 110471677) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
PubChem CID110471677
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(13-7-2-1-3-8-13)18-15-10-6-12-20-16-11-5-4-9-14(15)16/h4-5,9,11,13,15H,1-3,6-8,10,12H2,(H,18,19)
InChIKeyRPGPDRYWZSPHBL-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-4-carboxamide
CID 126839799
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270
6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
CID 71880749
(3S)-1-ethyl-5-oxo-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 95309657
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310383
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
CID 126827942
2-amino-2-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide;hydrochloride
CID 119310398
(2R)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280878
(2S)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280877
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
(2R,3S)-2-ethyl-1-methyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 125421792

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide (CID 110471677) is N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide is O=C(NC1CCCOc2ccccc21)C1CCCCC1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide?
The InChIKey is RPGPDRYWZSPHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(13-7-2-1-3-8-13)18-15-10-6-12-20-16-11-5-4-9-14(15)16/h4-5,9,11,13,15H,1-3,6-8,10,12H2,(H,18,19).
What are the key properties of N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide?
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110471677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).