tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate

C14H28N2O3 — CID 24689253

IUPACtert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
SMILESCC(C)CCNC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)8-10-15-12(17)7-6-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyYBMABHBGDSOTKZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.45
Rot. Bonds7

About tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate (PubChem CID 24689253) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
PubChem CID24689253
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
SMILESCC(C)CCNC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)8-10-15-12(17)7-6-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyYBMABHBGDSOTKZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate (CID 24689253) is tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate is CC(C)CCNC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The InChIKey is YBMABHBGDSOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)8-10-15-12(17)7-6-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 24689253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).