tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate

C15H28N2O4 — CID 142024551

IUPACtert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
SMILESCCC(C)=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-9-10(2)11(16-12(18)20-14(3,4)5)17-13(19)21-15(6,7)8/h9H2,1-8H3,(H,16,18)(H,17,19)
InChIKeyRFVLBTIMLQBNAC-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate

tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate (PubChem CID 142024551) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
PubChem CID142024551
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
SMILESCCC(C)=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-9-10(2)11(16-12(18)20-14(3,4)5)17-13(19)21-15(6,7)8/h9H2,1-8H3,(H,16,18)(H,17,19)
InChIKeyRFVLBTIMLQBNAC-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90778039
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(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
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tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
CID 123154029
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 101049189
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 10633164
[(2-methylpropan-2-yl)oxycarbonylamino] propanoate;hydrochloride
CID 23087927
tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
CID 90352815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate (CID 142024551) is tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate is CCC(C)=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate?
The InChIKey is RFVLBTIMLQBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-9-10(2)11(16-12(18)20-14(3,4)5)17-13(19)21-15(6,7)8/h9H2,1-8H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate?
tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate is sourced from PubChem (CID 142024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).