ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate

C16H20N4O5 — CID 75397368

IUPACethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N4O5/c1-3-25-16(24)20(2)11-6-4-10(5-7-11)17-15(23)18-12-8-9-13(21)19-14(12)22/h4-7,12H,3,8-9H2,1-2H3,(H2,17,18,23)(H,19,21,22)
InChIKeyUAMKJYXYKBHTHY-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.21
Rot. Bonds4

About ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate

ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate (PubChem CID 75397368) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate
PubChem CID75397368
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Nameethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N4O5/c1-3-25-16(24)20(2)11-6-4-10(5-7-11)17-15(23)18-12-8-9-13(21)19-14(12)22/h4-7,12H,3,8-9H2,1-2H3,(H2,17,18,23)(H,19,21,22)
InChIKeyUAMKJYXYKBHTHY-UHFFFAOYSA-N
XLogP1.21
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate (CID 75397368) is ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(NC(=O)NC2CCC(=O)NC2=O)cc1.
What is the InChIKey of ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate?
The InChIKey is UAMKJYXYKBHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-3-25-16(24)20(2)11-6-4-10(5-7-11)17-15(23)18-12-8-9-13(21)19-14(12)22/h4-7,12H,3,8-9H2,1-2H3,(H2,17,18,23)(H,19,21,22).
What are the key properties of ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate?
ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate has a molecular weight of 348.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 75397368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).