N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine

C19H25N3O2 — CID 67938282

IUPACN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine
SMILESCC(=O)NC1Oc2ccccc2Cc2cccnc21.CCNCC
InChIInChI=1S/C15H14N2O2.C4H11N/c1-10(18)17-15-14-12(6-4-8-16-14)9-11-5-2-3-7-13(11)19-15;1-3-5-4-2/h2-8,15H,9H2,1H3,(H,17,18);5H,3-4H2,1-2H3
InChIKeyQFIKWYIQGCLQKO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds3

About N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine

N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine (PubChem CID 67938282) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine.

Molecular Properties

Compound NameN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine
PubChem CID67938282
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine
SMILESCC(=O)NC1Oc2ccccc2Cc2cccnc21.CCNCC
InChIInChI=1S/C15H14N2O2.C4H11N/c1-10(18)17-15-14-12(6-4-8-16-14)9-11-5-2-3-7-13(11)19-15;1-3-5-4-2/h2-8,15H,9H2,1H3,(H,17,18);5H,3-4H2,1-2H3
InChIKeyQFIKWYIQGCLQKO-UHFFFAOYSA-N
XLogP2.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine?
The IUPAC name of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine (CID 67938282) is N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine.
What is the SMILES notation for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine?
The canonical SMILES for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine is CC(=O)NC1Oc2ccccc2Cc2cccnc21.CCNCC.
What is the InChIKey of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine?
The InChIKey is QFIKWYIQGCLQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C4H11N/c1-10(18)17-15-14-12(6-4-8-16-14)9-11-5-2-3-7-13(11)19-15;1-3-5-4-2/h2-8,15H,9H2,1H3,(H,17,18);5H,3-4H2,1-2H3.
What are the key properties of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine?
N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine has a molecular weight of 327.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine is sourced from PubChem (CID 67938282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).