ethyl 4-(4-methylpentanoylamino)benzoate

C15H21NO3 — CID 43404103

IUPACethyl 4-(4-methylpentanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)12-6-8-13(9-7-12)16-14(17)10-5-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyLEXHLITWFWKOGA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.24
Rot. Bonds6

About ethyl 4-(4-methylpentanoylamino)benzoate

ethyl 4-(4-methylpentanoylamino)benzoate (PubChem CID 43404103) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(4-methylpentanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-methylpentanoylamino)benzoate
PubChem CID43404103
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(4-methylpentanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)12-6-8-13(9-7-12)16-14(17)10-5-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyLEXHLITWFWKOGA-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate
CID 6957061
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
(3S)-5-(4-ethoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 753761
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[3-[[(2S)-2-bromobutanoyl]amino]propanoylamino]benzoate
CID 40803216

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpentanoylamino)benzoate?
The IUPAC name of ethyl 4-(4-methylpentanoylamino)benzoate (CID 43404103) is ethyl 4-(4-methylpentanoylamino)benzoate.
What is the SMILES notation for ethyl 4-(4-methylpentanoylamino)benzoate?
The canonical SMILES for ethyl 4-(4-methylpentanoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)CCC(C)C)cc1.
What is the InChIKey of ethyl 4-(4-methylpentanoylamino)benzoate?
The InChIKey is LEXHLITWFWKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(18)12-6-8-13(9-7-12)16-14(17)10-5-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-(4-methylpentanoylamino)benzoate?
ethyl 4-(4-methylpentanoylamino)benzoate has a molecular weight of 263.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpentanoylamino)benzoate is sourced from PubChem (CID 43404103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).