methyl 4-phenoxy-2-(propan-2-ylamino)benzoate

C17H19NO3 — CID 72725192

IUPACmethyl 4-phenoxy-2-(propan-2-ylamino)benzoate
SMILESCOC(=O)c1ccc(Oc2ccccc2)cc1NC(C)C
InChIInChI=1S/C17H19NO3/c1-12(2)18-16-11-14(9-10-15(16)17(19)20-3)21-13-7-5-4-6-8-13/h4-12,18H,1-3H3
InChIKeyZNVPNDWVYZWXTN-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.09
Rot. Bonds5

About methyl 4-phenoxy-2-(propan-2-ylamino)benzoate

methyl 4-phenoxy-2-(propan-2-ylamino)benzoate (PubChem CID 72725192) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-phenoxy-2-(propan-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-phenoxy-2-(propan-2-ylamino)benzoate
PubChem CID72725192
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 4-phenoxy-2-(propan-2-ylamino)benzoate
SMILESCOC(=O)c1ccc(Oc2ccccc2)cc1NC(C)C
InChIInChI=1S/C17H19NO3/c1-12(2)18-16-11-14(9-10-15(16)17(19)20-3)21-13-7-5-4-6-8-13/h4-12,18H,1-3H3
InChIKeyZNVPNDWVYZWXTN-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
methyl 4-[di(propan-2-yl)carbamoyl]-2-(propan-2-ylamino)benzoate
CID 71195134
methyl 2-(propan-2-ylamino)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 24822968
methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
CID 10023622
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
dimethyl 4-[4-(2-methylpropanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321663
methyl (4-phenoxyphenyl) carbonate
CID 19704468
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenoxy-2-(propan-2-ylamino)benzoate?
The IUPAC name of methyl 4-phenoxy-2-(propan-2-ylamino)benzoate (CID 72725192) is methyl 4-phenoxy-2-(propan-2-ylamino)benzoate.
What is the SMILES notation for methyl 4-phenoxy-2-(propan-2-ylamino)benzoate?
The canonical SMILES for methyl 4-phenoxy-2-(propan-2-ylamino)benzoate is COC(=O)c1ccc(Oc2ccccc2)cc1NC(C)C.
What is the InChIKey of methyl 4-phenoxy-2-(propan-2-ylamino)benzoate?
The InChIKey is ZNVPNDWVYZWXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)18-16-11-14(9-10-15(16)17(19)20-3)21-13-7-5-4-6-8-13/h4-12,18H,1-3H3.
What are the key properties of methyl 4-phenoxy-2-(propan-2-ylamino)benzoate?
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate has a molecular weight of 285.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenoxy-2-(propan-2-ylamino)benzoate is sourced from PubChem (CID 72725192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).