2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid

C17H25NO4 — CID 22112016

IUPAC2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O
InChIInChI=1S/C17H25NO4/c1-6-17(7-2,16(20)21)18-15(19)10-13-12(4)8-11(3)9-14(13)22-5/h8-9H,6-7,10H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyVHVDMNPXNWZABG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.61
Rot. Bonds7

About 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid

2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid (PubChem CID 22112016) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid
PubChem CID22112016
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O
InChIInChI=1S/C17H25NO4/c1-6-17(7-2,16(20)21)18-15(19)10-13-12(4)8-11(3)9-14(13)22-5/h8-9H,6-7,10H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyVHVDMNPXNWZABG-UHFFFAOYSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
CID 174324695
2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 54373494
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid (CID 22112016) is 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid is CCC(CC)(NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid?
The InChIKey is VHVDMNPXNWZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-6-17(7-2,16(20)21)18-15(19)10-13-12(4)8-11(3)9-14(13)22-5/h8-9H,6-7,10H2,1-5H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid?
2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 22112016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).