3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide

C32H32N4O7 — CID 167275625

IUPAC3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOc1ccccc1CC(=O)NCc1ccc(CNC(=O)c2ccc(C=O)c(C(=O)N(C)C3CCC(=O)NC3=O)c2)cc1
InChIInChI=1S/C32H32N4O7/c1-36(26-13-14-28(38)35-31(26)41)32(42)25-15-23(11-12-24(25)19-37)30(40)34-18-21-9-7-20(8-10-21)17-33-29(39)16-22-5-3-4-6-27(22)43-2/h3-12,15,19,26H,13-14,16-18H2,1-2H3,(H,33,39)(H,34,40)(H,35,38,41)
InChIKeyNDMAWWBXLFNLMU-UHFFFAOYSA-N
MW584.63 g/mol
LogP2.17
Rot. Bonds11

About 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 167275625) has the molecular formula C32H32N4O7 and a molecular weight of 584.63 g/mol. Its IUPAC name is 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID167275625
Molecular FormulaC32H32N4O7
Molecular Weight584.63 g/mol
Exact Mass584.23
IUPAC Name3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOc1ccccc1CC(=O)NCc1ccc(CNC(=O)c2ccc(C=O)c(C(=O)N(C)C3CCC(=O)NC3=O)c2)cc1
InChIInChI=1S/C32H32N4O7/c1-36(26-13-14-28(38)35-31(26)41)32(42)25-15-23(11-12-24(25)19-37)30(40)34-18-21-9-7-20(8-10-21)17-33-29(39)16-22-5-3-4-6-27(22)43-2/h3-12,15,19,26H,13-14,16-18H2,1-2H3,(H,33,39)(H,34,40)(H,35,38,41)
InChIKeyNDMAWWBXLFNLMU-UHFFFAOYSA-N
XLogP2.17
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.63
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]methyl]-3-(2-hydroxyphenyl)prop-2-ynamide
CID 167288448
N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
CID 143421436
[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate
CID 177223376
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940
2-(4-aminobutoxy)-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methylbenzamide;propane
CID 145229559
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
(6aS)-N-[(2-methoxyphenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726254
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-naphthalen-1-ylacetyl)amino]methyl]phenyl]methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167275669
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
CID 91476634
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 167275625) is 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide is COc1ccccc1CC(=O)NCc1ccc(CNC(=O)c2ccc(C=O)c(C(=O)N(C)C3CCC(=O)NC3=O)c2)cc1.
What is the InChIKey of 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is NDMAWWBXLFNLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O7/c1-36(26-13-14-28(38)35-31(26)41)32(42)25-15-23(11-12-24(25)19-37)30(40)34-18-21-9-7-20(8-10-21)17-33-29(39)16-22-5-3-4-6-27(22)43-2/h3-12,15,19,26H,13-14,16-18H2,1-2H3,(H,33,39)(H,34,40)(H,35,38,41).
What are the key properties of 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 584.63 g/mol, XLogP of 2.17, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 167275625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).