methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate

C17H25NO4 — CID 18413307

IUPACmethyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(NC(=O)C(C)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C17H25NO4/c1-11(2)17(4,16(20)22-6)18-15(19)12(3)13-7-9-14(21-5)10-8-13/h7-12H,1-6H3,(H,18,19)
InChIKeyFAMNGFXZPQAKEO-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate

methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate (PubChem CID 18413307) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
PubChem CID18413307
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(NC(=O)C(C)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C17H25NO4/c1-11(2)17(4,16(20)22-6)18-15(19)12(3)13-7-9-14(21-5)10-8-13/h7-12H,1-6H3,(H,18,19)
InChIKeyFAMNGFXZPQAKEO-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-bromophenyl)propanoylamino]-2,3-dimethylbutanoate
CID 15457270
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 119369486
N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7057020
2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide
CID 139754163
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
CID 99816117

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate?
The IUPAC name of methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate (CID 18413307) is methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate?
The canonical SMILES for methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate is COC(=O)C(C)(NC(=O)C(C)c1ccc(OC)cc1)C(C)C.
What is the InChIKey of methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate?
The InChIKey is FAMNGFXZPQAKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)17(4,16(20)22-6)18-15(19)12(3)13-7-9-14(21-5)10-8-13/h7-12H,1-6H3,(H,18,19).
What are the key properties of methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate?
methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate has a molecular weight of 307.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate is sourced from PubChem (CID 18413307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).