tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate

C15H30N2O3 — CID 86653692

IUPACtert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)13(18)8-16-14(19)20-15(5,6)7/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyRXCZGVKMWBWTLB-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate (PubChem CID 86653692) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
PubChem CID86653692
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)13(18)8-16-14(19)20-15(5,6)7/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyRXCZGVKMWBWTLB-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 70987245
tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
CID 141407749
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
6-methylheptan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 170788050
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-ethylamino]-2-oxoethyl]carbamate
CID 162409667
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[2-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamate
CID 19688067
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate (CID 86653692) is tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate is CC(C)CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate?
The InChIKey is RXCZGVKMWBWTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)9-17(10-12(3)4)13(18)8-16-14(19)20-15(5,6)7/h11-12H,8-10H2,1-7H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 86653692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).