tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate

C15H30N2O3 — CID 78966459

IUPACtert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-10(14(3,4)5)9-16-12(18)11(2)17-13(19)20-15(6,7)8/h10-11H,9H2,1-8H3,(H,16,18)(H,17,19)
InChIKeyXHYYDDUQWDAPEE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate

tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate (PubChem CID 78966459) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
PubChem CID78966459
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-10(14(3,4)5)9-16-12(18)11(2)17-13(19)20-15(6,7)8/h10-11H,9H2,1-8H3,(H,16,18)(H,17,19)
InChIKeyXHYYDDUQWDAPEE-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-[3-[4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propylamino]butylamino]propylamino]-1-oxopropan-2-yl]carbamate
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ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate (CID 78966459) is tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NCC(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate?
The InChIKey is XHYYDDUQWDAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(14(3,4)5)9-16-12(18)11(2)17-13(19)20-15(6,7)8/h10-11H,9H2,1-8H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate is sourced from PubChem (CID 78966459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).