11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide

C25H29N3O5 — CID 3354332

IUPAC11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H29N3O5/c29-23(26-19-12-11-13-20(18-19)28(32)33)16-7-5-3-1-2-4-6-10-17-27-24(30)21-14-8-9-15-22(21)25(27)31/h8-9,11-15,18H,1-7,10,16-17H2,(H,26,29)
InChIKeyYJSXRQZTARXABM-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.34
Rot. Bonds13

About 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide

11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide (PubChem CID 3354332) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide.

Molecular Properties

Compound Name11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
PubChem CID3354332
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H29N3O5/c29-23(26-19-12-11-13-20(18-19)28(32)33)16-7-5-3-1-2-4-6-10-17-27-24(30)21-14-8-9-15-22(21)25(27)31/h8-9,11-15,18H,1-7,10,16-17H2,(H,26,29)
InChIKeyYJSXRQZTARXABM-UHFFFAOYSA-N
XLogP5.34
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
N-(3-nitrophenyl)-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 9410980
N-(3-fluorophenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19170181
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
6-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide
CID 19170204
N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925199
N-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-nitrobenzamide
CID 19318834
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-nitrophenolate
CID 7375552
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
sodium 6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoate
CID 24940938
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide?
The IUPAC name of 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide (CID 3354332) is 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide.
What is the SMILES notation for 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide?
The canonical SMILES for 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide is O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide?
The InChIKey is YJSXRQZTARXABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c29-23(26-19-12-11-13-20(18-19)28(32)33)16-7-5-3-1-2-4-6-10-17-27-24(30)21-14-8-9-15-22(21)25(27)31/h8-9,11-15,18H,1-7,10,16-17H2,(H,26,29).
What are the key properties of 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide?
11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide has a molecular weight of 451.52 g/mol, XLogP of 5.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide is sourced from PubChem (CID 3354332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).