propan-2-yl N-(2-carbamoyloxyethyl)carbamate

C7H14N2O4 — CID 3714875

IUPACpropan-2-yl N-(2-carbamoyloxyethyl)carbamate
SMILESCC(C)OC(=O)NCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-5(2)13-7(11)9-3-4-12-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeySICRHSHTSXDYFG-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.22
Rot. Bonds4

About propan-2-yl N-(2-carbamoyloxyethyl)carbamate

propan-2-yl N-(2-carbamoyloxyethyl)carbamate (PubChem CID 3714875) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is propan-2-yl N-(2-carbamoyloxyethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-carbamoyloxyethyl)carbamate
PubChem CID3714875
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namepropan-2-yl N-(2-carbamoyloxyethyl)carbamate
SMILESCC(C)OC(=O)NCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-5(2)13-7(11)9-3-4-12-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeySICRHSHTSXDYFG-UHFFFAOYSA-N
XLogP0.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-carbamoyloxyethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-carbamoyloxyethyl)carbamate (CID 3714875) is propan-2-yl N-(2-carbamoyloxyethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-carbamoyloxyethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-carbamoyloxyethyl)carbamate is CC(C)OC(=O)NCCOC(N)=O.
What is the InChIKey of propan-2-yl N-(2-carbamoyloxyethyl)carbamate?
The InChIKey is SICRHSHTSXDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(2)13-7(11)9-3-4-12-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of propan-2-yl N-(2-carbamoyloxyethyl)carbamate?
propan-2-yl N-(2-carbamoyloxyethyl)carbamate has a molecular weight of 190.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-carbamoyloxyethyl)carbamate is sourced from PubChem (CID 3714875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).