N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide

C22H23N3O4 — CID 4263016

IUPACN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCCCCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-2-3-13-18(25-20(27)16-11-7-8-12-17(16)21(25)28)19(26)24-22(29)23-14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3,(H2,23,24,26,29)
InChIKeyPAAKVALAHQMBGN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.87
Rot. Bonds7

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

N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 4263016) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID4263016
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCCCCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-2-3-13-18(25-20(27)16-11-7-8-12-17(16)21(25)28)19(26)24-22(29)23-14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3,(H2,23,24,26,29)
InChIKeyPAAKVALAHQMBGN-UHFFFAOYSA-N
XLogP2.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
(R)-Thalidomide
CID 75792
alpha-Phthalimidopropiophenone
CID 519663
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
Cc-11006
CID 10155135
A-2545
CID 185295
2-Phthalimidoacetamide
CID 21053
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide (CID 4263016) is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide is CCCCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is PAAKVALAHQMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-3-13-18(25-20(27)16-11-7-8-12-17(16)21(25)28)19(26)24-22(29)23-14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3,(H2,23,24,26,29).
What are the key properties of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide?
N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 393.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 4263016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).