methyl 2-anilino-2-(4-hydroxyphenyl)propanoate

C16H17NO3 — CID 60991506

IUPACmethyl 2-anilino-2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H17NO3/c1-16(15(19)20-2,12-8-10-14(18)11-9-12)17-13-6-4-3-5-7-13/h3-11,17-18H,1-2H3
InChIKeyCMHCNOXCJXNBRJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds4

About methyl 2-anilino-2-(4-hydroxyphenyl)propanoate

methyl 2-anilino-2-(4-hydroxyphenyl)propanoate (PubChem CID 60991506) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-anilino-2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(4-hydroxyphenyl)propanoate
PubChem CID60991506
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-anilino-2-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H17NO3/c1-16(15(19)20-2,12-8-10-14(18)11-9-12)17-13-6-4-3-5-7-13/h3-11,17-18H,1-2H3
InChIKeyCMHCNOXCJXNBRJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
methyl 2-(4-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990747
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-anilino-2-(4-hydroxyphenyl)propanoate (CID 60991506) is methyl 2-anilino-2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-anilino-2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-anilino-2-(4-hydroxyphenyl)propanoate is COC(=O)C(C)(Nc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of methyl 2-anilino-2-(4-hydroxyphenyl)propanoate?
The InChIKey is CMHCNOXCJXNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(15(19)20-2,12-8-10-14(18)11-9-12)17-13-6-4-3-5-7-13/h3-11,17-18H,1-2H3.
What are the key properties of methyl 2-anilino-2-(4-hydroxyphenyl)propanoate?
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate has a molecular weight of 271.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 60991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).