N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide

C22H24N2O3 — CID 94533339

IUPACN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H24N2O3/c1-4-22(12-11-19(25)24-21(22)27)17-7-9-18(10-8-17)23-20(26)16-6-5-14(2)15(3)13-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,25,27)/t22-/m0/s1
InChIKeyPXNFLKGNVYMNGD-QFIPXVFZSA-N
MW364.45 g/mol
LogP3.64
Rot. Bonds4

About N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide (PubChem CID 94533339) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
PubChem CID94533339
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H24N2O3/c1-4-22(12-11-19(25)24-21(22)27)17-7-9-18(10-8-17)23-20(26)16-6-5-14(2)15(3)13-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,25,27)/t22-/m0/s1
InChIKeyPXNFLKGNVYMNGD-QFIPXVFZSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 60570571
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 86807048
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 60570837
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-propan-2-yloxypropanamide
CID 60570514
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
CID 41062159
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 71685436

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide (CID 94533339) is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide is CC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is PXNFLKGNVYMNGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-22(12-11-19(25)24-21(22)27)17-7-9-18(10-8-17)23-20(26)16-6-5-14(2)15(3)13-16/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,25,27)/t22-/m0/s1.
What are the key properties of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide?
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 94533339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).