2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

C14H19NO4 — CID 110479192

IUPAC2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
SMILESCOCC(=O)NC1CCCOc2ccc(OC)cc21
InChIInChI=1S/C14H19NO4/c1-17-9-14(16)15-12-4-3-7-19-13-6-5-10(18-2)8-11(12)13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyMSHIFMQRNPEWIS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.67
Rot. Bonds4

About 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide (PubChem CID 110479192) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
PubChem CID110479192
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
SMILESCOCC(=O)NC1CCCOc2ccc(OC)cc21
InChIInChI=1S/C14H19NO4/c1-17-9-14(16)15-12-4-3-7-19-13-6-5-10(18-2)8-11(12)13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyMSHIFMQRNPEWIS-UHFFFAOYSA-N
XLogP1.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797
N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 110477525
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
[(1S,2R)-2-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclopentyl]methanol
CID 97063859
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
CID 110480046
[(1R,4S)-4-[(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787520
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The IUPAC name of 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide (CID 110479192) is 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide is COCC(=O)NC1CCCOc2ccc(OC)cc21.
What is the InChIKey of 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
The InChIKey is MSHIFMQRNPEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-9-14(16)15-12-4-3-7-19-13-6-5-10(18-2)8-11(12)13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide?
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide is sourced from PubChem (CID 110479192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).