2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide

C22H26N4O3 — CID 51185256

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1nnc2n1CCCCC2
InChIInChI=1S/C22H26N4O3/c27-22(23-13-21-25-24-20-8-2-1-5-11-26(20)21)14-28-15-9-10-19-17(12-15)16-6-3-4-7-18(16)29-19/h9-10,12H,1-8,11,13-14H2,(H,23,27)
InChIKeyXFTLDZLOBHIDJO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.32
Rot. Bonds5

About 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide (PubChem CID 51185256) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
PubChem CID51185256
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1nnc2n1CCCCC2
InChIInChI=1S/C22H26N4O3/c27-22(23-13-21-25-24-20-8-2-1-5-11-26(20)21)14-28-15-9-10-19-17(12-15)16-6-3-4-7-18(16)29-19/h9-10,12H,1-8,11,13-14H2,(H,23,27)
InChIKeyXFTLDZLOBHIDJO-UHFFFAOYSA-N
XLogP3.32
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55806512
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47014571
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 56558264
N-[(4-nitrophenyl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 52702278
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55520450
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 41247942
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55820732
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide (CID 51185256) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1nnc2n1CCCCC2.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The InChIKey is XFTLDZLOBHIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-22(23-13-21-25-24-20-8-2-1-5-11-26(20)21)14-28-15-9-10-19-17(12-15)16-6-3-4-7-18(16)29-19/h9-10,12H,1-8,11,13-14H2,(H,23,27).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide is sourced from PubChem (CID 51185256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).