N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide

C28H28N2O3 — CID 91963142

IUPACN,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O3/c31-26(29(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23)18-8-3-11-19-30-27(32)24-16-9-10-17-25(24)28(30)33/h1-2,4-7,9-10,12-17H,3,8,11,18-21H2
InChIKeyLEOHDNSDWNZMBY-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.07
Rot. Bonds10

About N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide

N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 91963142) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID91963142
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O3/c31-26(29(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23)18-8-3-11-19-30-27(32)24-16-9-10-17-25(24)28(30)33/h1-2,4-7,9-10,12-17H,3,8,11,18-21H2
InChIKeyLEOHDNSDWNZMBY-UHFFFAOYSA-N
XLogP5.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
N-benzyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)butanamide
CID 37429584
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51370669
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
N-benzyl-4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100663315
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 91963142) is N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is LEOHDNSDWNZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-26(29(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23)18-8-3-11-19-30-27(32)24-16-9-10-17-25(24)28(30)33/h1-2,4-7,9-10,12-17H,3,8,11,18-21H2.
What are the key properties of N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 440.54 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 91963142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).