5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide

C27H26N2O5 — CID 41365655

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C27H26N2O5/c1-33-24-13-12-20(17-29-26(31)21-10-5-6-11-22(21)27(29)32)16-23(24)25(30)28-14-7-15-34-18-19-8-3-2-4-9-19/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H,28,30)
InChIKeyMURQKTFBOAHPCM-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.83
Rot. Bonds10

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 41365655) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
PubChem CID41365655
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C27H26N2O5/c1-33-24-13-12-20(17-29-26(31)21-10-5-6-11-22(21)27(29)32)16-23(24)25(30)28-14-7-15-34-18-19-8-3-2-4-9-19/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H,28,30)
InChIKeyMURQKTFBOAHPCM-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55340080
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
CID 46475624
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide (CID 41365655) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is MURQKTFBOAHPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-33-24-13-12-20(17-29-26(31)21-10-5-6-11-22(21)27(29)32)16-23(24)25(30)28-14-7-15-34-18-19-8-3-2-4-9-19/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H,28,30).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 458.51 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 41365655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).