bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid

C23H21N3O6 — CID 134307088

IUPACbis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
SMILESO=C(O)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N3O6/c27-19-15-7-1-2-8-16(15)20(28)25(19)13-5-11-24(23(31)32)12-6-14-26-21(29)17-9-3-4-10-18(17)22(26)30/h1-4,7-10H,5-6,11-14H2,(H,31,32)
InChIKeyLTPHINVTXXMXTA-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.34
Rot. Bonds8

About bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid

bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid (PubChem CID 134307088) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid.

Molecular Properties

Compound Namebis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
PubChem CID134307088
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Namebis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
SMILESO=C(O)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H21N3O6/c27-19-15-7-1-2-8-16(15)20(28)25(19)13-5-11-24(23(31)32)12-6-14-26-21(29)17-9-3-4-10-18(17)22(26)30/h1-4,7-10H,5-6,11-14H2,(H,31,32)
InChIKeyLTPHINVTXXMXTA-UHFFFAOYSA-N
XLogP2.34
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
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-(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
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361

Frequently Asked Questions

What is the IUPAC name of bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid?
The IUPAC name of bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid (CID 134307088) is bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid.
What is the SMILES notation for bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid?
The canonical SMILES for bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid is O=C(O)N(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid?
The InChIKey is LTPHINVTXXMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-19-15-7-1-2-8-16(15)20(28)25(19)13-5-11-24(23(31)32)12-6-14-26-21(29)17-9-3-4-10-18(17)22(26)30/h1-4,7-10H,5-6,11-14H2,(H,31,32).
What are the key properties of bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid?
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid has a molecular weight of 435.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid is sourced from PubChem (CID 134307088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).