[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate

C22H27NO4 — CID 18091239

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
SMILESCC(OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C22H27NO4/c1-14(2)23(15(3)4)21(25)16(5)27-22(26)19-8-6-17(7-9-19)18-10-12-20(24)13-11-18/h6-16,24H,1-5H3
InChIKeyKGNJPPLDMLXFLI-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.25
Rot. Bonds6

About [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 18091239) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
PubChem CID18091239
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
SMILESCC(OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C22H27NO4/c1-14(2)23(15(3)4)21(25)16(5)27-22(26)19-8-6-17(7-9-19)18-10-12-20(24)13-11-18/h6-16,24H,1-5H3
InChIKeyKGNJPPLDMLXFLI-UHFFFAOYSA-N
XLogP4.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133591
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999438
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 8984006
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8955054
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133499
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8996979
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8996980
1-fluoroethyl 4-hydroxybenzoate
CID 175530732

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate (CID 18091239) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate is CC(OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is KGNJPPLDMLXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-14(2)23(15(3)4)21(25)16(5)27-22(26)19-8-6-17(7-9-19)18-10-12-20(24)13-11-18/h6-16,24H,1-5H3.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 369.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 18091239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).