N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide

C24H35N3O4 — CID 176689408

IUPACN-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
SMILESCC(C)N(C(=O)CCCCCC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1)C(C)C
InChIInChI=1S/C24H35N3O4/c1-16(2)27(17(3)4)23(30)12-7-5-6-11-21(28)25-19-10-8-9-18(15-19)20-13-14-22(29)26-24(20)31/h8-10,15-17,20H,5-7,11-14H2,1-4H3,(H,25,28)(H,26,29,31)
InChIKeyXCJNZXXQSUEFNF-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.74
Rot. Bonds10

About N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide

N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide (PubChem CID 176689408) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
PubChem CID176689408
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
SMILESCC(C)N(C(=O)CCCCCC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1)C(C)C
InChIInChI=1S/C24H35N3O4/c1-16(2)27(17(3)4)23(30)12-7-5-6-11-21(28)25-19-10-8-9-18(15-19)20-13-14-22(29)26-24(20)31/h8-10,15-17,20H,5-7,11-14H2,1-4H3,(H,25,28)(H,26,29,31)
InChIKeyXCJNZXXQSUEFNF-UHFFFAOYSA-N
XLogP3.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689424
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166553640
tert-butyl 6-[3-(2,7-dioxoazepan-3-yl)anilino]hexanoate
CID 175638791
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
CID 177052361
CID 177052361
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate
CID 167478794
propan-2-yl 6-[3-(heptanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661284
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
CID 171406891

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide (CID 176689408) is N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide is CC(C)N(C(=O)CCCCCC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1)C(C)C.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide?
The InChIKey is XCJNZXXQSUEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-16(2)27(17(3)4)23(30)12-7-5-6-11-21(28)25-19-10-8-9-18(15-19)20-13-14-22(29)26-24(20)31/h8-10,15-17,20H,5-7,11-14H2,1-4H3,(H,25,28)(H,26,29,31).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide?
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide has a molecular weight of 429.56 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide is sourced from PubChem (CID 176689408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).