tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane

C19H34N4O5 — CID 145438142

IUPACtert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane
SMILESCC.COC1=NC(NC(=O)OC(C)(C)C)=CNC1CNC(=O)C1CCOCC1
InChIInChI=1S/C17H28N4O5.C2H6/c1-17(2,3)26-16(23)21-13-10-18-12(15(20-13)24-4)9-19-14(22)11-5-7-25-8-6-11;1-2/h10-12,18H,5-9H2,1-4H3,(H,19,22)(H,21,23);1-2H3
InChIKeyOJACAAYNQBHFJS-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane

tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane (PubChem CID 145438142) has the molecular formula C19H34N4O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane
PubChem CID145438142
Molecular FormulaC19H34N4O5
Molecular Weight398.50 g/mol
Exact Mass398.25
IUPAC Nametert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane
SMILESCC.COC1=NC(NC(=O)OC(C)(C)C)=CNC1CNC(=O)C1CCOCC1
InChIInChI=1S/C17H28N4O5.C2H6/c1-17(2,3)26-16(23)21-13-10-18-12(15(20-13)24-4)9-19-14(22)11-5-7-25-8-6-11;1-2/h10-12,18H,5-9H2,1-4H3,(H,19,22)(H,21,23);1-2H3
InChIKeyOJACAAYNQBHFJS-UHFFFAOYSA-N
XLogP1.90
TPSA110.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane with MolForge

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Related Compounds

tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75406583
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
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tert-butyl N-[2-(oxane-4-carbonylamino)-4-(trifluoromethyl)phenyl]carbamate
CID 87046246
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[5-(bromomethyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 45117895
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CID 119625667
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane (CID 145438142) is tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane is CC.COC1=NC(NC(=O)OC(C)(C)C)=CNC1CNC(=O)C1CCOCC1.
What is the InChIKey of tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane?
The InChIKey is OJACAAYNQBHFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5.C2H6/c1-17(2,3)26-16(23)21-13-10-18-12(15(20-13)24-4)9-19-14(22)11-5-7-25-8-6-11;1-2/h10-12,18H,5-9H2,1-4H3,(H,19,22)(H,21,23);1-2H3.
What are the key properties of tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane?
tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane has a molecular weight of 398.50 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methoxy-2-[(oxane-4-carbonylamino)methyl]-1,2-dihydropyrazin-5-yl]carbamate;ethane is sourced from PubChem (CID 145438142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).