[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate

C27H29N3O7 — CID 163680994

IUPAC[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCCNC(=O)c1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(C(=O)NCCC)ccc1-2
InChIInChI=1S/C27H29N3O7/c1-3-11-28-25(33)16-5-7-18-19-8-6-17(26(34)29-12-4-2)14-21(19)22(20(18)13-16)15-36-27(35)37-30-23(31)9-10-24(30)32/h5-8,13-14,22H,3-4,9-12,15H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyJKUWTDKLUNQBDL-UHFFFAOYSA-N
MW507.54 g/mol
LogP3.30
Rot. Bonds9

About [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate

[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 163680994) has the molecular formula C27H29N3O7 and a molecular weight of 507.54 g/mol. Its IUPAC name is [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID163680994
Molecular FormulaC27H29N3O7
Molecular Weight507.54 g/mol
Exact Mass507.20
IUPAC Name[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCCNC(=O)c1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(C(=O)NCCC)ccc1-2
InChIInChI=1S/C27H29N3O7/c1-3-11-28-25(33)16-5-7-18-19-8-6-17(26(34)29-12-4-2)14-21(19)22(20(18)13-16)15-36-27(35)37-30-23(31)9-10-24(30)32/h5-8,13-14,22H,3-4,9-12,15H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyJKUWTDKLUNQBDL-UHFFFAOYSA-N
XLogP3.30
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2,7-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 172844336
[2-[4-(2-butoxyethylamino)-4-oxobutyl]-7-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118088025
[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 89361961
(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
CID 58776041
(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
CID 122675799
[2-formyl-7-(2-hydroxyethylcarbamoyl)-9H-fluoren-9-yl]methyl N-butylcarbamate
CID 135228096
(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
CID 148558387
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
CID 58856633
benzotriazol-1-yl [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
CID 86710459
(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate
CID 129016839
[2-[2-(1-ethoxyethoxy)ethylcarbamoyl]-7-(2-propan-2-yloxyethylcarbamoyl)-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 89247588

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 163680994) is [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate is CCCNC(=O)c1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(C(=O)NCCC)ccc1-2.
What is the InChIKey of [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is JKUWTDKLUNQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O7/c1-3-11-28-25(33)16-5-7-18-19-8-6-17(26(34)29-12-4-2)14-21(19)22(20(18)13-16)15-36-27(35)37-30-23(31)9-10-24(30)32/h5-8,13-14,22H,3-4,9-12,15H2,1-2H3,(H,28,33)(H,29,34).
What are the key properties of [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 507.54 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 163680994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).