N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide

C36H30N2O5 — CID 70033210

IUPACN-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide
SMILESNc1cc(C(=O)CNC(=O)c2ccccc2CCOc2ccc3c(c2)oc2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C36H30N2O5/c37-31-20-26(14-17-34(31)42-23-24-8-2-1-3-9-24)32(39)22-38-36(40)28-11-5-4-10-25(28)18-19-41-27-15-16-30-29-12-6-7-13-33(29)43-35(30)21-27/h1-17,20-21H,18-19,22-23,37H2,(H,38,40)
InChIKeyDFXOIYMGQCRUQA-UHFFFAOYSA-N
MW570.65 g/mol
LogP6.98
Rot. Bonds11

About N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide

N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide (PubChem CID 70033210) has the molecular formula C36H30N2O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide
PubChem CID70033210
Molecular FormulaC36H30N2O5
Molecular Weight570.65 g/mol
Exact Mass570.22
IUPAC NameN-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide
SMILESNc1cc(C(=O)CNC(=O)c2ccccc2CCOc2ccc3c(c2)oc2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C36H30N2O5/c37-31-20-26(14-17-34(31)42-23-24-8-2-1-3-9-24)32(39)22-38-36(40)28-11-5-4-10-25(28)18-19-41-27-15-16-30-29-12-6-7-13-33(29)43-35(30)21-27/h1-17,20-21H,18-19,22-23,37H2,(H,38,40)
InChIKeyDFXOIYMGQCRUQA-UHFFFAOYSA-N
XLogP6.98
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-dibenzofuran-3-yloxyethyl)-N-[2-(3-nitro-4-phenylmethoxyphenyl)-2-oxoethyl]benzamide
CID 70035151
2-[(3-dibenzofuran-3-yloxy-1-phenylpropyl)amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanone
CID 70034704
N-[2-[3-[benzyl(methylsulfonyl)amino]-4-phenylmethoxyphenyl]-2-oxoethyl]-2-[2-(6,7,8,9-tetrahydrodibenzothiophen-4-yloxy)ethyl]benzamide
CID 70031539
2-(dibenzofuran-3-carbonylamino)acetic acid
CID 169199306
1-[3-amino-4-(2-phenylethoxy)phenyl]butan-1-one
CID 82064270
[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate
CID 69146489
2-dibenzofuran-3-yloxyethanamine
CID 18615231
(3,5-diamino-4-hydroxyphenyl)-[6-(2-phenylethoxy)-2-propyl-1-benzofuran-3-yl]methanone
CID 139569302
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide?
The IUPAC name of N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide (CID 70033210) is N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide.
What is the SMILES notation for N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide?
The canonical SMILES for N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide is Nc1cc(C(=O)CNC(=O)c2ccccc2CCOc2ccc3c(c2)oc2ccccc23)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide?
The InChIKey is DFXOIYMGQCRUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O5/c37-31-20-26(14-17-34(31)42-23-24-8-2-1-3-9-24)32(39)22-38-36(40)28-11-5-4-10-25(28)18-19-41-27-15-16-30-29-12-6-7-13-33(29)43-35(30)21-27/h1-17,20-21H,18-19,22-23,37H2,(H,38,40).
What are the key properties of N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide?
N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide has a molecular weight of 570.65 g/mol, XLogP of 6.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-4-phenylmethoxyphenyl)-2-oxoethyl]-2-(2-dibenzofuran-3-yloxyethyl)benzamide is sourced from PubChem (CID 70033210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).