methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate

C15H23NO3 — CID 43726104

IUPACmethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-11(16-15(2,3)14(18)19-4)5-6-12-7-9-13(17)10-8-12/h7-11,16-17H,5-6H2,1-4H3
InChIKeyRUVJZXBLFJUTBO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.25
Rot. Bonds6

About methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate

methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate (PubChem CID 43726104) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
PubChem CID43726104
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-11(16-15(2,3)14(18)19-4)5-6-12-7-9-13(17)10-8-12/h7-11,16-17H,5-6H2,1-4H3
InChIKeyRUVJZXBLFJUTBO-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
methyl (2S)-2-[4-(4-hydroxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43452164
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
CID 97019721
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
methyl 2-tert-butyl-2-[(4-hydroxyphenyl)methyl]-3,3-dimethylbutanoate
CID 67816552
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate (CID 43726104) is methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)CCc1ccc(O)cc1.
What is the InChIKey of methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate?
The InChIKey is RUVJZXBLFJUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-15(2,3)14(18)19-4)5-6-12-7-9-13(17)10-8-12/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate?
methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate is sourced from PubChem (CID 43726104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).