N,N'-di(dibenzofuran-3-yl)pentanediamide

C29H22N2O4 — CID 3110736

IUPACN,N'-di(dibenzofuran-3-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H22N2O4/c32-28(30-18-12-14-22-20-6-1-3-8-24(20)34-26(22)16-18)10-5-11-29(33)31-19-13-15-23-21-7-2-4-9-25(21)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyTULVXKXWFQWMTP-UHFFFAOYSA-N
MW462.51 g/mol
LogP7.23
Rot. Bonds6

About N,N'-di(dibenzofuran-3-yl)pentanediamide

N,N'-di(dibenzofuran-3-yl)pentanediamide (PubChem CID 3110736) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N,N'-di(dibenzofuran-3-yl)pentanediamide.

Molecular Properties

Compound NameN,N'-di(dibenzofuran-3-yl)pentanediamide
PubChem CID3110736
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC NameN,N'-di(dibenzofuran-3-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H22N2O4/c32-28(30-18-12-14-22-20-6-1-3-8-24(20)34-26(22)16-18)10-5-11-29(33)31-19-13-15-23-21-7-2-4-9-25(21)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyTULVXKXWFQWMTP-UHFFFAOYSA-N
XLogP7.23
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(dibenzofuran-3-yl)pentanediamide?
The IUPAC name of N,N'-di(dibenzofuran-3-yl)pentanediamide (CID 3110736) is N,N'-di(dibenzofuran-3-yl)pentanediamide.
What is the SMILES notation for N,N'-di(dibenzofuran-3-yl)pentanediamide?
The canonical SMILES for N,N'-di(dibenzofuran-3-yl)pentanediamide is O=C(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N,N'-di(dibenzofuran-3-yl)pentanediamide?
The InChIKey is TULVXKXWFQWMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O4/c32-28(30-18-12-14-22-20-6-1-3-8-24(20)34-26(22)16-18)10-5-11-29(33)31-19-13-15-23-21-7-2-4-9-25(21)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33).
What are the key properties of N,N'-di(dibenzofuran-3-yl)pentanediamide?
N,N'-di(dibenzofuran-3-yl)pentanediamide has a molecular weight of 462.51 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(dibenzofuran-3-yl)pentanediamide is sourced from PubChem (CID 3110736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).