tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate

C15H30N2O3 — CID 89203370

IUPACtert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-7-9-10-16-13(18)12(11(3)8-2)17-14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyXDMSZMKETONBLH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 89203370) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID89203370
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-7-9-10-16-13(18)12(11(3)8-2)17-14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyXDMSZMKETONBLH-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.84
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-[1-(2-methoxyethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 110407612
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 121448498
tert-butyl N-[3-methyl-1-(2-methylsulfonylethylamino)-1-oxopentan-2-yl]carbamate
CID 110612488
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
CID 50945788
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 12807306
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
tert-butyl N-butylcarbamate;methane
CID 153346289
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
CID 175054407
tert-butyl N-[1-[[2-(butylamino)-1-(2,6-dimethylphenyl)-2-oxoethyl]-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18021025
tert-butyl N-[1-[butan-2-yl-[2-(butylamino)-1-(2,6-dimethylphenyl)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18024730

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate (CID 89203370) is tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate is CCCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)CC.
What is the InChIKey of tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is XDMSZMKETONBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-9-10-16-13(18)12(11(3)8-2)17-14(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 89203370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).