benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate

C14H17N3O4 — CID 654497

IUPACbenzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate
SMILESO=C(NCCC(=O)N1CCNC1=O)OCc1ccccc1
InChIInChI=1S/C14H17N3O4/c18-12(17-9-8-15-13(17)19)6-7-16-14(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)(H,16,20)
InChIKeyVMBNHPPMAVPLJG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.85
Rot. Bonds5

About benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate

benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate (PubChem CID 654497) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate
PubChem CID654497
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namebenzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate
SMILESO=C(NCCC(=O)N1CCNC1=O)OCc1ccccc1
InChIInChI=1S/C14H17N3O4/c18-12(17-9-8-15-13(17)19)6-7-16-14(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)(H,16,20)
InChIKeyVMBNHPPMAVPLJG-UHFFFAOYSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate?
The IUPAC name of benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate (CID 654497) is benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate is O=C(NCCC(=O)N1CCNC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate?
The InChIKey is VMBNHPPMAVPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-12(17-9-8-15-13(17)19)6-7-16-14(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)(H,16,20).
What are the key properties of benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate?
benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate has a molecular weight of 291.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-oxo-3-(2-oxoimidazolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 654497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).