3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate

C19H21N5O7 — CID 126615972

IUPAC3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate
SMILESCN(CCCOC(N)=O)C(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H21N5O7/c1-23(8-3-9-31-18(20)29)19(30)21-11-5-2-4-10-14(11)17(28)24(16(10)27)12-6-7-13(25)22-15(12)26/h2,4-5,12H,3,6-9H2,1H3,(H2,20,29)(H,21,30)(H,22,25,26)
InChIKeyQZFVWMMFVLZGHU-UHFFFAOYSA-N
MW431.41 g/mol
LogP0.04
Rot. Bonds6

About 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate (PubChem CID 126615972) has the molecular formula C19H21N5O7 and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate.

Molecular Properties

Compound Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate
PubChem CID126615972
Molecular FormulaC19H21N5O7
Molecular Weight431.41 g/mol
Exact Mass431.14
IUPAC Name3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate
SMILESCN(CCCOC(N)=O)C(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H21N5O7/c1-23(8-3-9-31-18(20)29)19(30)21-11-5-2-4-10-14(11)17(28)24(16(10)27)12-6-7-13(25)22-15(12)26/h2,4-5,12H,3,6-9H2,1H3,(H2,20,29)(H,21,30)(H,22,25,26)
InChIKeyQZFVWMMFVLZGHU-UHFFFAOYSA-N
XLogP0.04
TPSA168.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate with MolForge

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Related Compounds

4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl carbamate
CID 175555620
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175077402
tert-butyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-N-methylcarbamate
CID 139373757
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 155292100
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pent-4-ynyl carbamate
CID 175144492
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[4-(4-iodobutoxy)butoxy]acetamide
CID 139465973
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate?
The IUPAC name of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate (CID 126615972) is 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate.
What is the SMILES notation for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate?
The canonical SMILES for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate is CN(CCCOC(N)=O)C(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate?
The InChIKey is QZFVWMMFVLZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O7/c1-23(8-3-9-31-18(20)29)19(30)21-11-5-2-4-10-14(11)17(28)24(16(10)27)12-6-7-13(25)22-15(12)26/h2,4-5,12H,3,6-9H2,1H3,(H2,20,29)(H,21,30)(H,22,25,26).
What are the key properties of 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate?
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate has a molecular weight of 431.41 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl-methylamino]propyl carbamate is sourced from PubChem (CID 126615972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).