propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate

C16H23NO4 — CID 103021711

IUPACpropyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CC(C)(C)OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-10-21-15(19)12-6-8-13(9-7-12)17-14(18)11-16(2,3)20-4/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyYFALUDJGDRACSG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.01
Rot. Bonds7

About propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate

propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate (PubChem CID 103021711) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
PubChem CID103021711
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namepropyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CC(C)(C)OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-10-21-15(19)12-6-8-13(9-7-12)17-14(18)11-16(2,3)20-4/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyYFALUDJGDRACSG-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-3-methoxy-3-methylbutanamide
CID 103017558
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
propyl 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 54816569
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023
propyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81414678
propyl 4-(5-chloropentanoylamino)benzoate
CID 43167866
propyl 4-(butanoylcarbamothioylamino)benzoate
CID 2187200

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate?
The IUPAC name of propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate (CID 103021711) is propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CC(C)(C)OC)cc1.
What is the InChIKey of propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate?
The InChIKey is YFALUDJGDRACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-10-21-15(19)12-6-8-13(9-7-12)17-14(18)11-16(2,3)20-4/h6-9H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate?
propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate has a molecular weight of 293.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate is sourced from PubChem (CID 103021711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).