propan-2-yl 2-(4-methoxyanilino)benzoate

C17H19NO3 — CID 54153670

IUPACpropan-2-yl 2-(4-methoxyanilino)benzoate
SMILESCOc1ccc(Nc2ccccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-17(19)15-6-4-5-7-16(15)18-13-8-10-14(20-3)11-9-13/h4-12,18H,1-3H3
InChIKeyOJNGVXUWFDTQII-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.00
Rot. Bonds5

About propan-2-yl 2-(4-methoxyanilino)benzoate

propan-2-yl 2-(4-methoxyanilino)benzoate (PubChem CID 54153670) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxyanilino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxyanilino)benzoate
PubChem CID54153670
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namepropan-2-yl 2-(4-methoxyanilino)benzoate
SMILESCOc1ccc(Nc2ccccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-17(19)15-6-4-5-7-16(15)18-13-8-10-14(20-3)11-9-13/h4-12,18H,1-3H3
InChIKeyOJNGVXUWFDTQII-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methoxyanilino)benzoate?
The IUPAC name of propan-2-yl 2-(4-methoxyanilino)benzoate (CID 54153670) is propan-2-yl 2-(4-methoxyanilino)benzoate.
What is the SMILES notation for propan-2-yl 2-(4-methoxyanilino)benzoate?
The canonical SMILES for propan-2-yl 2-(4-methoxyanilino)benzoate is COc1ccc(Nc2ccccc2C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxyanilino)benzoate?
The InChIKey is OJNGVXUWFDTQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)21-17(19)15-6-4-5-7-16(15)18-13-8-10-14(20-3)11-9-13/h4-12,18H,1-3H3.
What are the key properties of propan-2-yl 2-(4-methoxyanilino)benzoate?
propan-2-yl 2-(4-methoxyanilino)benzoate has a molecular weight of 285.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxyanilino)benzoate is sourced from PubChem (CID 54153670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).