N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide

C22H23N3O5 — CID 9218916

IUPACN'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide
SMILESO=C(COc1ccc2oc3ccccc3c2c1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C22H23N3O5/c26-20(13-25-11-5-1-2-8-22(25)28)23-24-21(27)14-29-15-9-10-19-17(12-15)16-6-3-4-7-18(16)30-19/h3-4,6-7,9-10,12H,1-2,5,8,11,13-14H2,(H,23,26)(H,24,27)
InChIKeyXVSFJWLZNNEWEV-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.51
Rot. Bonds5

About N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide

N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide (PubChem CID 9218916) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide
PubChem CID9218916
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide
SMILESO=C(COc1ccc2oc3ccccc3c2c1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C22H23N3O5/c26-20(13-25-11-5-1-2-8-22(25)28)23-24-21(27)14-29-15-9-10-19-17(12-15)16-6-3-4-7-18(16)30-19/h3-4,6-7,9-10,12H,1-2,5,8,11,13-14H2,(H,23,26)(H,24,27)
InChIKeyXVSFJWLZNNEWEV-UHFFFAOYSA-N
XLogP2.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218948
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
CID 119224754
N-[2-(3-aminophenoxy)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61035856
2-dibenzofuran-2-yloxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7916392
2-dibenzofuran-2-yloxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 26645002
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543
2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971

Frequently Asked Questions

What is the IUPAC name of N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide?
The IUPAC name of N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide (CID 9218916) is N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide.
What is the SMILES notation for N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide?
The canonical SMILES for N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide is O=C(COc1ccc2oc3ccccc3c2c1)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide?
The InChIKey is XVSFJWLZNNEWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c26-20(13-25-11-5-1-2-8-22(25)28)23-24-21(27)14-29-15-9-10-19-17(12-15)16-6-3-4-7-18(16)30-19/h3-4,6-7,9-10,12H,1-2,5,8,11,13-14H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide?
N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide has a molecular weight of 409.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide is sourced from PubChem (CID 9218916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).