tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate

C14H28N2O3 — CID 71936586

IUPACtert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCC(CC)N(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-8-11(9-2)16(7)12(17)10(3)15-13(18)19-14(4,5)6/h10-11H,8-9H2,1-7H3,(H,15,18)
InChIKeyBHELPBMMBMORCZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.55
Rot. Bonds5

About tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 71936586) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID71936586
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCC(CC)N(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-8-11(9-2)16(7)12(17)10(3)15-13(18)19-14(4,5)6/h10-11H,8-9H2,1-7H3,(H,15,18)
InChIKeyBHELPBMMBMORCZ-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 95174235
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 14824170
tert-butyl N-[(2R)-1-[ethyl(hydroxy)amino]-1-oxopropan-2-yl]carbamate
CID 89421028
(2R)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175023707
tert-butyl N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
CID 130272618
tert-butyl N-[(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 47452025
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
[(3S)-pent-1-en-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174331482
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate
CID 74817225
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate (CID 71936586) is tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate is CCC(CC)N(C)C(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is BHELPBMMBMORCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-8-11(9-2)16(7)12(17)10(3)15-13(18)19-14(4,5)6/h10-11H,8-9H2,1-7H3,(H,15,18).
What are the key properties of tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71936586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).