10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid

C18H24N2O4 — CID 71359584

IUPAC10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1cccc2c1CNC2=O
InChIInChI=1S/C18H24N2O4/c21-16(10-5-3-1-2-4-6-11-17(22)23)20-15-9-7-8-13-14(15)12-19-18(13)24/h7-9H,1-6,10-12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyNPSQFTIHLFEFHW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.07
Rot. Bonds10

About 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid

10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid (PubChem CID 71359584) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid.

Molecular Properties

Compound Name10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid
PubChem CID71359584
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1cccc2c1CNC2=O
InChIInChI=1S/C18H24N2O4/c21-16(10-5-3-1-2-4-6-11-17(22)23)20-15-9-7-8-13-14(15)12-19-18(13)24/h7-9H,1-6,10-12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyNPSQFTIHLFEFHW-UHFFFAOYSA-N
XLogP3.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 17435174
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CID 166404520
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
CID 54866853
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166404601
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
13-[2-(3-carboxypropylsulfanyl)anilino]-13-oxotridecanoic acid
CID 18795732
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
19-[2-(3-carboxypropylsulfanyl)anilino]-19-oxononadecanoic acid
CID 18796193
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N-(2-aminophenyl)-6-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)hexanamide;ethane;2-methylpropane
CID 143414736

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid?
The IUPAC name of 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid (CID 71359584) is 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid.
What is the SMILES notation for 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid?
The canonical SMILES for 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid is O=C(O)CCCCCCCCC(=O)Nc1cccc2c1CNC2=O.
What is the InChIKey of 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid?
The InChIKey is NPSQFTIHLFEFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(10-5-3-1-2-4-6-11-17(22)23)20-15-9-7-8-13-14(15)12-19-18(13)24/h7-9H,1-6,10-12H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid?
10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid has a molecular weight of 332.40 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid is sourced from PubChem (CID 71359584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).