N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide

C24H20N2O5 — CID 22776594

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(C)c2OC)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O5/c1-14-7-6-10-18(21(14)31-3)22(27)25-15-11-12-19(20(13-15)30-2)26-23(28)16-8-4-5-9-17(16)24(26)29/h4-13H,1-3H3,(H,25,27)
InChIKeyVRMFBRZURSZTMK-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.07
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide

N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide (PubChem CID 22776594) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
PubChem CID22776594
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(C)c2OC)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O5/c1-14-7-6-10-18(21(14)31-3)22(27)25-15-11-12-19(20(13-15)30-2)26-23(28)16-8-4-5-9-17(16)24(26)29/h4-13H,1-3H3,(H,25,27)
InChIKeyVRMFBRZURSZTMK-UHFFFAOYSA-N
XLogP4.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
CID 918540
3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
CID 22781355
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzamide
CID 3536498
N-(9H-fluoren-2-yl)-2-methoxy-3-methylbenzamide
CID 17102504
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]naphthalene-2-carboxamide
CID 23098051
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
N-(4-bromo-3-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103719026
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide (CID 22776594) is N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide is COc1cc(NC(=O)c2cccc(C)c2OC)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide?
The InChIKey is VRMFBRZURSZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-14-7-6-10-18(21(14)31-3)22(27)25-15-11-12-19(20(13-15)30-2)26-23(28)16-8-4-5-9-17(16)24(26)29/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide?
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide has a molecular weight of 416.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 22776594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).