tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate

C16H32N2O3 — CID 118278562

IUPACtert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate
SMILESCC(C)CCNC(=O)C(C)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-11(2)8-9-17-14(19)12(3)10-13(4)18-15(20)21-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyBABDZYKJBZMSQZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.09
Rot. Bonds7

About tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate

tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate (PubChem CID 118278562) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate
PubChem CID118278562
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate
SMILESCC(C)CCNC(=O)C(C)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-11(2)8-9-17-14(19)12(3)10-13(4)18-15(20)21-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyBABDZYKJBZMSQZ-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
methyl (2S)-3-hydroxy-2-[[(2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 10592678
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate (CID 118278562) is tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate is CC(C)CCNC(=O)C(C)CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate?
The InChIKey is BABDZYKJBZMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11(2)8-9-17-14(19)12(3)10-13(4)18-15(20)21-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate?
tert-butyl N-[4-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 3.09, 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-methyl-5-(3-methylbutylamino)-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 118278562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).