methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate

C15H23NO3 — CID 104643925

IUPACmethyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
SMILESCCCCc1ccc(NCC(C)(O)C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-5-6-12-7-9-13(10-8-12)16-11-15(2,18)14(17)19-3/h7-10,16,18H,4-6,11H2,1-3H3
InChIKeyMXVLHHKGAKTVJT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate

methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate (PubChem CID 104643925) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
PubChem CID104643925
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
SMILESCCCCc1ccc(NCC(C)(O)C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-5-6-12-7-9-13(10-8-12)16-11-15(2,18)14(17)19-3/h7-10,16,18H,4-6,11H2,1-3H3
InChIKeyMXVLHHKGAKTVJT-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
4-butyl-N-(3-methoxy-3-methylbutyl)aniline
CID 103033140
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
methyl 3-(4-ethoxy-3-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104644996
methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
methyl 3-(3-bromo-4-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644737

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate (CID 104643925) is methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate is CCCCc1ccc(NCC(C)(O)C(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate?
The InChIKey is MXVLHHKGAKTVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-6-12-7-9-13(10-8-12)16-11-15(2,18)14(17)19-3/h7-10,16,18H,4-6,11H2,1-3H3.
What are the key properties of methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate?
methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 104643925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).