methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate

C16H23NO5 — CID 94811894

IUPACmethyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)c1ccccc1OCCOC)C(=O)OC
InChIInChI=1S/C16H23NO5/c1-5-16(2,15(19)21-4)17-14(18)12-8-6-7-9-13(12)22-11-10-20-3/h6-9H,5,10-11H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyCJJJKCTYLBOFSO-MRXNPFEDSA-N
MW309.36 g/mol
LogP1.78
Rot. Bonds8

About methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate

methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate (PubChem CID 94811894) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
PubChem CID94811894
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)c1ccccc1OCCOC)C(=O)OC
InChIInChI=1S/C16H23NO5/c1-5-16(2,15(19)21-4)17-14(18)12-8-6-7-9-13(12)22-11-10-20-3/h6-9H,5,10-11H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyCJJJKCTYLBOFSO-MRXNPFEDSA-N
XLogP1.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[(2-bromobenzoyl)amino]-2-methylbutanoate
CID 94797947
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
methyl (2R)-2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylbutanoate
CID 94800835
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 47366118
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate?
The IUPAC name of methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate (CID 94811894) is methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate is CC[C@@](C)(NC(=O)c1ccccc1OCCOC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate?
The InChIKey is CJJJKCTYLBOFSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO5/c1-5-16(2,15(19)21-4)17-14(18)12-8-6-7-9-13(12)22-11-10-20-3/h6-9H,5,10-11H2,1-4H3,(H,17,18)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate?
methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate has a molecular weight of 309.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate is sourced from PubChem (CID 94811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).