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

C19H21NO2 — CID 126787171

IUPAC2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide
SMILESCCc1ccccc1C(=O)NC1CCCOc2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-14-8-3-4-9-15(14)19(21)20-17-11-7-13-22-18-12-6-5-10-16(17)18/h3-6,8-10,12,17H,2,7,11,13H2,1H3,(H,20,21)
InChIKeyHLFWBEGERVLZSP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.89
Rot. Bonds3

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

2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide (PubChem CID 126787171) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide
PubChem CID126787171
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide
SMILESCCc1ccccc1C(=O)NC1CCCOc2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-14-8-3-4-9-15(14)19(21)20-17-11-7-13-22-18-12-6-5-10-16(17)18/h3-6,8-10,12,17H,2,7,11,13H2,1H3,(H,20,21)
InChIKeyHLFWBEGERVLZSP-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
(2S)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280877
(2R)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280878
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
CID 99793286
(2S)-2-methyl-3-[(S)-methylsulfinyl]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 125419486
1-(2-hydroxyethyl)-1-propyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913072
(2R,3S)-2-ethyl-1-methyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 125421792
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
2-(3-hydroxy-4-methylphenyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 138998260
3,5-dimethyl-1-propyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazole-4-carboxamide
CID 126789325

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide?
The IUPAC name of 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide (CID 126787171) is 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide.
What is the SMILES notation for 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide?
The canonical SMILES for 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide is CCc1ccccc1C(=O)NC1CCCOc2ccccc21.
What is the InChIKey of 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide?
The InChIKey is HLFWBEGERVLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-14-8-3-4-9-15(14)19(21)20-17-11-7-13-22-18-12-6-5-10-16(17)18/h3-6,8-10,12,17H,2,7,11,13H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide?
2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide is sourced from PubChem (CID 126787171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).