methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate

C17H25NO5 — CID 100752495

IUPACmethyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
SMILESCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1
InChIInChI=1S/C17H25NO5/c1-7-17(4,22-6)16(20)18-12-8-9-14(23-11(2)3)13(10-12)15(19)21-5/h8-11H,7H2,1-6H3,(H,18,20)/t17-/m1/s1
InChIKeyIIGVHTFAISADHD-QGZVFWFLSA-N
MW323.39 g/mol
LogP3.01
Rot. Bonds7

About methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate

methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate (PubChem CID 100752495) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
PubChem CID100752495
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
SMILESCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1
InChIInChI=1S/C17H25NO5/c1-7-17(4,22-6)16(20)18-12-8-9-14(23-11(2)3)13(10-12)15(19)21-5/h8-11H,7H2,1-6H3,(H,18,20)/t17-/m1/s1
InChIKeyIIGVHTFAISADHD-QGZVFWFLSA-N
XLogP3.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate with MolForge

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Related Compounds

methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
CID 100754429
methyl 5-[(2-methyl-2-propoxybutanoyl)amino]-2-propoxybenzoate
CID 133204025
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-propan-2-yloxybenzoate
CID 133203899
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
methyl 2-butan-2-yloxy-5-[(2-ethoxy-2-methylheptanoyl)amino]benzoate
CID 133203893
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate (CID 100752495) is methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate is CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate?
The InChIKey is IIGVHTFAISADHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO5/c1-7-17(4,22-6)16(20)18-12-8-9-14(23-11(2)3)13(10-12)15(19)21-5/h8-11H,7H2,1-6H3,(H,18,20)/t17-/m1/s1.
What are the key properties of methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate?
methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate has a molecular weight of 323.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate is sourced from PubChem (CID 100752495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).