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

C20H20N4O4 — CID 108873391

IUPAC4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
SMILESCC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O
InChIInChI=1S/C20H20N4O4/c1-20(2,3)24-17(26)14-9-8-13(10-15(14)18(24)27)23-19(28)22-12-6-4-11(5-7-12)16(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,28)
InChIKeyULOFNBWDBFDNPO-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.82
Rot. Bonds3

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

4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide (PubChem CID 108873391) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
PubChem CID108873391
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
SMILESCC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O
InChIInChI=1S/C20H20N4O4/c1-20(2,3)24-17(26)14-9-8-13(10-15(14)18(24)27)23-19(28)22-12-6-4-11(5-7-12)16(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,28)
InChIKeyULOFNBWDBFDNPO-UHFFFAOYSA-N
XLogP2.82
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.82
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-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(4-tert-butylphenyl)urea
CID 108873381
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-pyridin-3-ylurea
CID 108873340
4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
CID 108872649
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(3-methoxyphenyl)urea
CID 108873285
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108873240
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-prop-2-enylurea
CID 108873345
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,6-dichlorophenyl)urea
CID 108873432
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,3-dichlorophenyl)urea
CID 108873170
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108873385
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(3-methylbutyl)urea
CID 108873443
2-tert-butyl-N-[(4-carbamoylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766213
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-quinolin-8-ylurea
CID 108873409

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide?
The IUPAC name of 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide (CID 108873391) is 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide.
What is the SMILES notation for 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide?
The canonical SMILES for 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide is CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O.
What is the InChIKey of 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide?
The InChIKey is ULOFNBWDBFDNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20(2,3)24-17(26)14-9-8-13(10-15(14)18(24)27)23-19(28)22-12-6-4-11(5-7-12)16(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,28).
What are the key properties of 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide?
4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide is sourced from PubChem (CID 108873391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).