tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate

C11H22N2O3 — CID 24689269

IUPACtert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate
SMILESCCCNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-7-12-9(14)6-8-13-10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyCTXPUDVKQCHBFQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds5

About tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate

tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate (PubChem CID 24689269) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate
PubChem CID24689269
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate
SMILESCCCNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-7-12-9(14)6-8-13-10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyCTXPUDVKQCHBFQ-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate (CID 24689269) is tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate is CCCNC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate?
The InChIKey is CTXPUDVKQCHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-12-9(14)6-8-13-10(15)16-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate?
tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-(propylamino)propyl]carbamate is sourced from PubChem (CID 24689269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).