tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate

C16H32N2O3 — CID 43184928

IUPACtert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCN(CCC)C(=O)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H32N2O3/c1-8-10-18(11-9-2)14(19)13(12(3)4)17-15(20)21-16(5,6)7/h12-13H,8-11H2,1-7H3,(H,17,20)
InChIKeyYLTFFRQTQGQREG-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.18
Rot. Bonds7

About tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 43184928) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID43184928
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCN(CCC)C(=O)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H32N2O3/c1-8-10-18(11-9-2)14(19)13(12(3)4)17-15(20)21-16(5,6)7/h12-13H,8-11H2,1-7H3,(H,17,20)
InChIKeyYLTFFRQTQGQREG-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10628201
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
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tert-butyl N-[1-(hexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
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tert-butyl N-[3-methyl-1-(2-methylbutylamino)-1-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 43184928) is tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate is CCCN(CCC)C(=O)C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is YLTFFRQTQGQREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-8-10-18(11-9-2)14(19)13(12(3)4)17-15(20)21-16(5,6)7/h12-13H,8-11H2,1-7H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 43184928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).