N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide

C44H30N4O7 — CID 3094264

IUPACN-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7)cc6C5=O)cc4)cc2)C3=O)cc1
InChIInChI=1S/C44H30N4O7/c1-25-3-9-29(10-4-25)45-39(49)27-7-21-35-37(23-27)43(53)47(41(35)51)31-13-17-33(18-14-31)55-34-19-15-32(16-20-34)48-42(52)36-22-8-28(24-38(36)44(48)54)40(50)46-30-11-5-26(2)6-12-30/h3-24H,1-2H3,(H,45,49)(H,46,50)
InChIKeyRPAOWINOLLJDKB-UHFFFAOYSA-N
MW726.75 g/mol
LogP8.20
Rot. Bonds8

About N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 3094264) has the molecular formula C44H30N4O7 and a molecular weight of 726.75 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID3094264
Molecular FormulaC44H30N4O7
Molecular Weight726.75 g/mol
Exact Mass726.21
IUPAC NameN-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7)cc6C5=O)cc4)cc2)C3=O)cc1
InChIInChI=1S/C44H30N4O7/c1-25-3-9-29(10-4-25)45-39(49)27-7-21-35-37(23-27)43(53)47(41(35)51)31-13-17-33(18-14-31)55-34-19-15-32(16-20-34)48-42(52)36-22-8-28(24-38(36)44(48)54)40(50)46-30-11-5-26(2)6-12-30/h3-24H,1-2H3,(H,45,49)(H,46,50)
InChIKeyRPAOWINOLLJDKB-UHFFFAOYSA-N
XLogP8.20
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.75
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 22899387
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
CID 153454442
2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 143437368
4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate
CID 7046804
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108764944
2-[4-[[2-(4-bromophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenoxy]acetic acid
CID 17172389
2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 163757145
2-methyl-5-[2-[3-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59147895
2-methyl-5-[2-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59936816

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 3094264) is N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7)cc6C5=O)cc4)cc2)C3=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RPAOWINOLLJDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O7/c1-25-3-9-29(10-4-25)45-39(49)27-7-21-35-37(23-27)43(53)47(41(35)51)31-13-17-33(18-14-31)55-34-19-15-32(16-20-34)48-42(52)36-22-8-28(24-38(36)44(48)54)40(50)46-30-11-5-26(2)6-12-30/h3-24H,1-2H3,(H,45,49)(H,46,50).
What are the key properties of N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 726.75 g/mol, XLogP of 8.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 3094264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).