N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide

C27H26N2O4 — CID 4013315

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19-9-13-21(14-10-19)28(25(30)20-11-15-22(33-2)16-12-20)17-5-6-18-29-26(31)23-7-3-4-8-24(23)27(29)32/h3-4,7-16H,5-6,17-18H2,1-2H3
InChIKeyKZEFQQLNCFDQIG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.73
Rot. Bonds8

About N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide

N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide (PubChem CID 4013315) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
PubChem CID4013315
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19-9-13-21(14-10-19)28(25(30)20-11-15-22(33-2)16-12-20)17-5-6-18-29-26(31)23-7-3-4-8-24(23)27(29)32/h3-4,7-16H,5-6,17-18H2,1-2H3
InChIKeyKZEFQQLNCFDQIG-UHFFFAOYSA-N
XLogP4.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
4-tert-butyl-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-methylphenyl)benzamide
CID 3981151
N-(2,4-dimethylphenyl)-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3-methoxybenzamide
CID 5114854
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 4036482
N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-chloro-N-(4-methoxyphenyl)benzamide
CID 3959956
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide (CID 4013315) is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide is COc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide?
The InChIKey is KZEFQQLNCFDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19-9-13-21(14-10-19)28(25(30)20-11-15-22(33-2)16-12-20)17-5-6-18-29-26(31)23-7-3-4-8-24(23)27(29)32/h3-4,7-16H,5-6,17-18H2,1-2H3.
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide?
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 4013315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).