benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

C13H18N2O3 — CID 10729350

IUPACbenzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(2)15-12(16)8-14-13(17)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIXUOEOAXHYIKHZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.44
Rot. Bonds5

About benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 10729350) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID10729350
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(2)15-12(16)8-14-13(17)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIXUOEOAXHYIKHZ-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 10729350) is benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CC(C)NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is IXUOEOAXHYIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)15-12(16)8-14-13(17)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 10729350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).