4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide

C20H20N4O4 — CID 108872649

IUPAC4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O
InChIInChI=1S/C20H20N4O4/c1-11(2)10-24-18(26)15-8-7-14(9-16(15)19(24)27)23-20(28)22-13-5-3-12(4-6-13)17(21)25/h3-9,11H,10H2,1-2H3,(H2,21,25)(H2,22,23,28)
InChIKeyQEGBPLQKUFVJJC-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.68
Rot. Bonds5

About 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide

4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide (PubChem CID 108872649) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
PubChem CID108872649
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O
InChIInChI=1S/C20H20N4O4/c1-11(2)10-24-18(26)15-8-7-14(9-16(15)19(24)27)23-20(28)22-13-5-3-12(4-6-13)17(21)25/h3-9,11H,10H2,1-2H3,(H2,21,25)(H2,22,23,28)
InChIKeyQEGBPLQKUFVJJC-UHFFFAOYSA-N
XLogP2.68
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108872431
1-(3-methylbutyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872701
4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
CID 108873391
1-(5-bromopyrimidin-2-yl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872755
methyl 4-[[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]methyl]benzoate
CID 108872730
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(1-phenylethyl)urea
CID 108872468
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(4-methyl-2-pyridinyl)urea
CID 108872704
1-(2-cyanoethyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872763
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(2-phenylsulfanylphenyl)urea
CID 108872514
1,1-bis(2-hydroxyethyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872480
1-[(3-methylphenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872734

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide?
The IUPAC name of 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide (CID 108872649) is 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide is CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O.
What is the InChIKey of 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide?
The InChIKey is QEGBPLQKUFVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11(2)10-24-18(26)15-8-7-14(9-16(15)19(24)27)23-20(28)22-13-5-3-12(4-6-13)17(21)25/h3-9,11H,10H2,1-2H3,(H2,21,25)(H2,22,23,28).
What are the key properties of 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide?
4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide is sourced from PubChem (CID 108872649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).