N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C28H26N2O5 — CID 55388015

IUPACN-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)C2CC2)cc1
InChIInChI=1S/C28H26N2O5/c1-34-21-12-7-18(8-13-21)16-29(20-10-11-20)28(33)24-15-19(9-14-25(24)35-2)17-30-26(31)22-5-3-4-6-23(22)27(30)32/h3-9,12-15,20H,10-11,16-17H2,1-2H3
InChIKeyXJGHXRVSOPVIKM-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.30
Rot. Bonds8

About N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 55388015) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID55388015
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)C2CC2)cc1
InChIInChI=1S/C28H26N2O5/c1-34-21-12-7-18(8-13-21)16-29(20-10-11-20)28(33)24-15-19(9-14-25(24)35-2)17-30-26(31)22-5-3-4-6-23(22)27(30)32/h3-9,12-15,20H,10-11,16-17H2,1-2H3
InChIKeyXJGHXRVSOPVIKM-UHFFFAOYSA-N
XLogP4.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 51268360
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 51206691
N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 26893001
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
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
2-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 27660661
N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
CID 27670598
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 55584263
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 29217634
2-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]butyl]isoindole-1,3-dione
CID 18088542
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 55388015) is N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is XJGHXRVSOPVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-34-21-12-7-18(8-13-21)16-29(20-10-11-20)28(33)24-15-19(9-14-25(24)35-2)17-30-26(31)22-5-3-4-6-23(22)27(30)32/h3-9,12-15,20H,10-11,16-17H2,1-2H3.
What are the key properties of N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55388015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).