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

C22H24N2O5 — CID 40946988

IUPACN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H24N2O5/c1-4-22(13-12-18(25)24-21(22)27)14-8-10-15(11-9-14)23-20(26)19-16(28-2)6-5-7-17(19)29-3/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,25,27)/t22-/m0/s1
InChIKeyIBFDDIGRMHXZRR-QFIPXVFZSA-N
MW396.44 g/mol
LogP3.04
Rot. Bonds6

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

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide (PubChem CID 40946988) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
PubChem CID40946988
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H24N2O5/c1-4-22(13-12-18(25)24-21(22)27)14-8-10-15(11-9-14)23-20(26)19-16(28-2)6-5-7-17(19)29-3/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,25,27)/t22-/m0/s1
InChIKeyIBFDDIGRMHXZRR-QFIPXVFZSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide
CID 52909973
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-propan-2-yloxypropanamide
CID 60570514
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86840062
(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide
CID 46177432
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60570598
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60570782
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 60570837
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide (CID 40946988) is N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide is CC[C@@]1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide?
The InChIKey is IBFDDIGRMHXZRR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-4-22(13-12-18(25)24-21(22)27)14-8-10-15(11-9-14)23-20(26)19-16(28-2)6-5-7-17(19)29-3/h5-11H,4,12-13H2,1-3H3,(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]-2,6-dimethoxybenzamide?
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide has a molecular weight of 396.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 40946988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).