N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide

C21H20N2O4 — CID 135691005

IUPACN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C21H20N2O4/c24-17-10-11-19-21(15-8-4-5-9-18(15)27-19)16(17)12-22-23-20(25)13-26-14-6-2-1-3-7-14/h1-3,6-7,10-12,24H,4-5,8-9,13H2,(H,23,25)/b22-12+
InChIKeyNFZQDPCDPPEWTI-WSDLNYQXSA-N
MW364.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide

N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide (PubChem CID 135691005) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide
PubChem CID135691005
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C21H20N2O4/c24-17-10-11-19-21(15-8-4-5-9-18(15)27-19)16(17)12-22-23-20(25)13-26-14-6-2-1-3-7-14/h1-3,6-7,10-12,24H,4-5,8-9,13H2,(H,23,25)/b22-12+
InChIKeyNFZQDPCDPPEWTI-WSDLNYQXSA-N
XLogP3.55
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]acetamide
CID 3747069
N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 135473333
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697
2-(3,4-dimethylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135479490
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide (CID 135691005) is N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3.
What is the InChIKey of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is NFZQDPCDPPEWTI-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-17-10-11-19-21(15-8-4-5-9-18(15)27-19)16(17)12-22-23-20(25)13-26-14-6-2-1-3-7-14/h1-3,6-7,10-12,24H,4-5,8-9,13H2,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide?
N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 364.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 135691005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).