4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide

C22H24N4O4 — CID 108540337

IUPAC4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N4O4/c1-14(26-21(29)17-6-4-5-7-18(17)22(26)30)19(27)23-12-13-24-20(28)15-8-10-16(11-9-15)25(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyMXLULEMGHWMYDC-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.28
Rot. Bonds7

About 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide

4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide (PubChem CID 108540337) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
PubChem CID108540337
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N4O4/c1-14(26-21(29)17-6-4-5-7-18(17)22(26)30)19(27)23-12-13-24-20(28)15-8-10-16(11-9-15)25(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyMXLULEMGHWMYDC-UHFFFAOYSA-N
XLogP1.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 108540330
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 19165323
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methoxybenzamide
CID 108539201
2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108535007
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 108540329
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108571861
2-chloro-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-6-fluorobenzamide
CID 108540343
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 96510144

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide (CID 108540337) is 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide is CC(C(=O)NCCNC(=O)c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide?
The InChIKey is MXLULEMGHWMYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(26-21(29)17-6-4-5-7-18(17)22(26)30)19(27)23-12-13-24-20(28)15-8-10-16(11-9-15)25(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide?
4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108540337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).