N-cyclohexyl-1-benzoxepine-4-carboxamide

C17H19NO2 — CID 16648766

IUPACN-cyclohexyl-1-benzoxepine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1=Cc2ccccc2OC=C1
InChIInChI=1S/C17H19NO2/c19-17(18-15-7-2-1-3-8-15)14-10-11-20-16-9-5-4-6-13(16)12-14/h4-6,9-12,15H,1-3,7-8H2,(H,18,19)
InChIKeyQULYXEMDLQYNDC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.42
Rot. Bonds2

About N-cyclohexyl-1-benzoxepine-4-carboxamide

N-cyclohexyl-1-benzoxepine-4-carboxamide (PubChem CID 16648766) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-cyclohexyl-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-benzoxepine-4-carboxamide
PubChem CID16648766
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-cyclohexyl-1-benzoxepine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1=Cc2ccccc2OC=C1
InChIInChI=1S/C17H19NO2/c19-17(18-15-7-2-1-3-8-15)14-10-11-20-16-9-5-4-6-13(16)12-14/h4-6,9-12,15H,1-3,7-8H2,(H,18,19)
InChIKeyQULYXEMDLQYNDC-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-1-benzoxepine-4-carboxamide
CID 95715552
N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide
CID 50752885
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-benzoxepine-4-carboxamide
CID 131914780
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(1-benzoxepin-4-yl)methanone
CID 56869099
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclooctylfuran-2-carboxamide
CID 790432
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
1-benzoxepin-4-yl-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56760277
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-benzoxepine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-benzoxepine-4-carboxamide (CID 16648766) is N-cyclohexyl-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-benzoxepine-4-carboxamide is O=C(NC1CCCCC1)C1=Cc2ccccc2OC=C1.
What is the InChIKey of N-cyclohexyl-1-benzoxepine-4-carboxamide?
The InChIKey is QULYXEMDLQYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(18-15-7-2-1-3-8-15)14-10-11-20-16-9-5-4-6-13(16)12-14/h4-6,9-12,15H,1-3,7-8H2,(H,18,19).
What are the key properties of N-cyclohexyl-1-benzoxepine-4-carboxamide?
N-cyclohexyl-1-benzoxepine-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 16648766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).