(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate

C24H24N2O6 — CID 18671258

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate
SMILESO=C(CCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C24H24N2O6/c27-20-14-15-21(28)26(20)32-22(29)9-5-2-6-16-25-24(31)19-12-10-18(11-13-19)23(30)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H,25,31)
InChIKeyUXMFRUDFQRLBDN-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.82
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate (PubChem CID 18671258) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate
PubChem CID18671258
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate
SMILESO=C(CCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C24H24N2O6/c27-20-14-15-21(28)26(20)32-22(29)9-5-2-6-16-25-24(31)19-12-10-18(11-13-19)23(30)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H,25,31)
InChIKeyUXMFRUDFQRLBDN-UHFFFAOYSA-N
XLogP2.82
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate
CID 18006764
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
methyl 4-benzamidobutanoate
CID 13197711
trimethylsilyl 10-benzamidodecanoate
CID 10808726
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
CID 58482193
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
CID 129168004
(2,5-dioxopyrrolidin-1-yl) 16-(dithiolane-4-carbonylamino)hexadecanoate
CID 169187635
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate (CID 18671258) is (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate is O=C(CCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate?
The InChIKey is UXMFRUDFQRLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-20-14-15-21(28)26(20)32-22(29)9-5-2-6-16-25-24(31)19-12-10-18(11-13-19)23(30)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H,25,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate has a molecular weight of 436.46 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate is sourced from PubChem (CID 18671258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).