propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate

C21H25NO4 — CID 40769471

IUPACpropan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
SMILESCC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1
InChIInChI=1S/C21H25NO4/c1-5-15(4)26-19-8-6-7-17(13-19)20(23)22-18-11-9-16(10-12-18)21(24)25-14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyQDTVQILVFQCZBY-OAHLLOKOSA-N
MW355.43 g/mol
LogP4.68
Rot. Bonds7

About propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate

propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate (PubChem CID 40769471) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
PubChem CID40769471
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
SMILESCC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1
InChIInChI=1S/C21H25NO4/c1-5-15(4)26-19-8-6-7-17(13-19)20(23)22-18-11-9-16(10-12-18)21(24)25-14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyQDTVQILVFQCZBY-OAHLLOKOSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]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

3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
CID 43915005
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate (CID 40769471) is propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate is CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1.
What is the InChIKey of propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate?
The InChIKey is QDTVQILVFQCZBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-15(4)26-19-8-6-7-17(13-19)20(23)22-18-11-9-16(10-12-18)21(24)25-14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1.
What are the key properties of propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate?
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate is sourced from PubChem (CID 40769471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).