tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate

C14H28N2O5 — CID 169107909

IUPACtert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate
SMILESCNC(=O)CC(COC)N(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-14(2,3)21-13(18)16(7-8-19-5)11(10-20-6)9-12(17)15-4/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyYMCJNDHADANFGE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.02
Rot. Bonds8

About tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate (PubChem CID 169107909) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate
PubChem CID169107909
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate
SMILESCNC(=O)CC(COC)N(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-14(2,3)21-13(18)16(7-8-19-5)11(10-20-6)9-12(17)15-4/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyYMCJNDHADANFGE-UHFFFAOYSA-N
XLogP1.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
methyl (2S)-2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoate
CID 124709593
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
3-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 85357237
tert-butyl N-(1-methoxybutan-2-yl)-N-[[3-(2-oxoethyl)phenyl]methyl]carbamate
CID 87293410
(2S)-2-[[(3S)-3-hydroxy-4-methoxybutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 138483692
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 99793214
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate (CID 169107909) is tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate is CNC(=O)CC(COC)N(CCOC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate?
The InChIKey is YMCJNDHADANFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-14(2,3)21-13(18)16(7-8-19-5)11(10-20-6)9-12(17)15-4/h11H,7-10H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 169107909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).