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

C9H18N2O3 — CID 59817403

IUPACpropyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCCOC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-4-5-14-9(13)10-6-8(12)11-7(2)3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyMDHZPRIXGZQBLI-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds5

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

propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 59817403) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID59817403
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namepropyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCCOC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C9H18N2O3/c1-4-5-14-9(13)10-6-8(12)11-7(2)3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyMDHZPRIXGZQBLI-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 59817403) is propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CCCOC(=O)NCC(=O)NC(C)C.
What is the InChIKey of propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is MDHZPRIXGZQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5-14-9(13)10-6-8(12)11-7(2)3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 59817403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).