methyl 2-anilino-2-(2-methoxyphenyl)propanoate

C17H19NO3 — CID 60990815

IUPACmethyl 2-anilino-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H19NO3/c1-17(16(19)21-3,18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)20-2/h4-12,18H,1-3H3
InChIKeyTULYSLDPPVVEAM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.20
Rot. Bonds5

About methyl 2-anilino-2-(2-methoxyphenyl)propanoate

methyl 2-anilino-2-(2-methoxyphenyl)propanoate (PubChem CID 60990815) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-anilino-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(2-methoxyphenyl)propanoate
PubChem CID60990815
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-anilino-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H19NO3/c1-17(16(19)21-3,18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)20-2/h4-12,18H,1-3H3
InChIKeyTULYSLDPPVVEAM-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
CID 60990617
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
2-(2-fluoroanilino)-2-(2-methoxyphenyl)propanamide
CID 60992388

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-anilino-2-(2-methoxyphenyl)propanoate (CID 60990815) is methyl 2-anilino-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-anilino-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-anilino-2-(2-methoxyphenyl)propanoate is COC(=O)C(C)(Nc1ccccc1)c1ccccc1OC.
What is the InChIKey of methyl 2-anilino-2-(2-methoxyphenyl)propanoate?
The InChIKey is TULYSLDPPVVEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(16(19)21-3,18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)20-2/h4-12,18H,1-3H3.
What are the key properties of methyl 2-anilino-2-(2-methoxyphenyl)propanoate?
methyl 2-anilino-2-(2-methoxyphenyl)propanoate has a molecular weight of 285.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 60990815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).