propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate

C17H19NO3 — CID 63897464

IUPACpropan-2-yl 2-amino-3-methyl-5-phenoxybenzoate
SMILESCc1cc(Oc2ccccc2)cc(C(=O)OC(C)C)c1N
InChIInChI=1S/C17H19NO3/c1-11(2)20-17(19)15-10-14(9-12(3)16(15)18)21-13-7-5-4-6-8-13/h4-11H,18H2,1-3H3
InChIKeyRUSCEZAGENIRTG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.93
Rot. Bonds4

About propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate

propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate (PubChem CID 63897464) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-methyl-5-phenoxybenzoate
PubChem CID63897464
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namepropan-2-yl 2-amino-3-methyl-5-phenoxybenzoate
SMILESCc1cc(Oc2ccccc2)cc(C(=O)OC(C)C)c1N
InChIInChI=1S/C17H19NO3/c1-11(2)20-17(19)15-10-14(9-12(3)16(15)18)21-13-7-5-4-6-8-13/h4-11H,18H2,1-3H3
InChIKeyRUSCEZAGENIRTG-UHFFFAOYSA-N
XLogP3.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-phenoxyaniline
CID 12546819
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
2-fluoro-6-methyl-4-phenoxyaniline
CID 129220510
2-amino-5-(4-bromo-3,5-dimethylphenoxy)-3-methylbenzoic acid
CID 107722649
2-methyl-5-phenoxy-3-propan-2-yloxybenzoic acid
CID 66969425
propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805
propan-2-yl 2-(2-amino-3,4-dimethylphenoxy)benzoate
CID 153356647
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
ethyl 2-(hydroxyamino)-5-phenoxybenzoate
CID 90258346
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate?
The IUPAC name of propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate (CID 63897464) is propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate.
What is the SMILES notation for propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate?
The canonical SMILES for propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate is Cc1cc(Oc2ccccc2)cc(C(=O)OC(C)C)c1N.
What is the InChIKey of propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate?
The InChIKey is RUSCEZAGENIRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)20-17(19)15-10-14(9-12(3)16(15)18)21-13-7-5-4-6-8-13/h4-11H,18H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate?
propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate has a molecular weight of 285.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate is sourced from PubChem (CID 63897464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).