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

C16H20N4O5 — CID 97253621

IUPACethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCC(=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)/t12-/m1/s1
InChIKeyUAMKJYXYKBHTHY-GFCCVEGCSA-N
MW348.36 g/mol
LogP1.21
Rot. Bonds4

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

ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate (PubChem CID 97253621) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
PubChem CID97253621
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Nameethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCC(=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)/t12-/m1/s1
InChIKeyUAMKJYXYKBHTHY-GFCCVEGCSA-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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Related Compounds

ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate
CID 75397368
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
CID 47070316
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621
ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate
CID 75462855
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
CID 153384906
2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115431256
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate (CID 97253621) is ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1.
What is the InChIKey of ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate?
The InChIKey is UAMKJYXYKBHTHY-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate?
ethyl N-[4-[[(3R)-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-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 97253621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).