[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate

C24H27N3O6 — CID 177223376

IUPAC[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CNC(=O)OCc1ccc(CN(C=O)C2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C24H27N3O6/c1-16-11-17(14-33-24(31)25-12-18-5-3-4-6-21(18)32-2)7-8-19(16)13-27(15-28)20-9-10-22(29)26-23(20)30/h3-8,11,15,20H,9-10,12-14H2,1-2H3,(H,25,31)(H,26,29,30)
InChIKeyIEARRXVDTGTNNZ-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.19
Rot. Bonds9

About [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate

[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate (PubChem CID 177223376) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate
PubChem CID177223376
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CNC(=O)OCc1ccc(CN(C=O)C2CCC(=O)NC2=O)c(C)c1
InChIInChI=1S/C24H27N3O6/c1-16-11-17(14-33-24(31)25-12-18-5-3-4-6-21(18)32-2)7-8-19(16)13-27(15-28)20-9-10-22(29)26-23(20)30/h3-8,11,15,20H,9-10,12-14H2,1-2H3,(H,25,31)(H,26,29,30)
InChIKeyIEARRXVDTGTNNZ-UHFFFAOYSA-N
XLogP2.19
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[(2-methoxyphenyl)methyl]carbamate
CID 164584006
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
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
(2S,3R)-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 91923723
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide
CID 129236702
N-(2,6-dioxopiperidin-3-yl)-N-(2-methoxy-2-phenylethyl)formamide
CID 167091335
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108913694
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-[[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]methyl]-3-(2-hydroxyphenyl)prop-2-ynamide
CID 167288448

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate (CID 177223376) is [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate is COc1ccccc1CNC(=O)OCc1ccc(CN(C=O)C2CCC(=O)NC2=O)c(C)c1.
What is the InChIKey of [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate?
The InChIKey is IEARRXVDTGTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-16-11-17(14-33-24(31)25-12-18-5-3-4-6-21(18)32-2)7-8-19(16)13-27(15-28)20-9-10-22(29)26-23(20)30/h3-8,11,15,20H,9-10,12-14H2,1-2H3,(H,25,31)(H,26,29,30).
What are the key properties of [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate?
[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate has a molecular weight of 453.50 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 177223376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).