N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide

C29H25N3O5 — CID 10577175

IUPACN,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C29H25N3O5/c33-25(20-10-2-1-3-11-20)30(16-8-18-31-26(34)21-12-4-5-13-22(21)27(31)35)17-9-19-32-28(36)23-14-6-7-15-24(23)29(32)37/h1-7,10-15H,8-9,16-19H2
InChIKeyFUGNQKHUESHFEG-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.50
Rot. Bonds9

About N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide

N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide (PubChem CID 10577175) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
PubChem CID10577175
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC NameN,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C29H25N3O5/c33-25(20-10-2-1-3-11-20)30(16-8-18-31-26(34)21-12-4-5-13-22(21)27(31)35)17-9-19-32-28(36)23-14-6-7-15-24(23)29(32)37/h1-7,10-15H,8-9,16-19H2
InChIKeyFUGNQKHUESHFEG-UHFFFAOYSA-N
XLogP3.50
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
CID 102234851
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 91963142
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione
CID 110881483
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The IUPAC name of N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide (CID 10577175) is N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide.
What is the SMILES notation for N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The canonical SMILES for N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide is O=C(c1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The InChIKey is FUGNQKHUESHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c33-25(20-10-2-1-3-11-20)30(16-8-18-31-26(34)21-12-4-5-13-22(21)27(31)35)17-9-19-32-28(36)23-14-6-7-15-24(23)29(32)37/h1-7,10-15H,8-9,16-19H2.
What are the key properties of N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide has a molecular weight of 495.54 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide is sourced from PubChem (CID 10577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).