cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate

C23H27NO4 — CID 17128650

IUPACcyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H27NO4/c1-2-16-27-20-14-10-17(11-15-20)22(25)24-19-12-8-18(9-13-19)23(26)28-21-6-4-3-5-7-21/h8-15,21H,2-7,16H2,1H3,(H,24,25)
InChIKeySJBPMCFLEFJUNF-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.22
Rot. Bonds7

About cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate

cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate (PubChem CID 17128650) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
PubChem CID17128650
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namecyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H27NO4/c1-2-16-27-20-14-10-17(11-15-20)22(25)24-19-12-8-18(9-13-19)23(26)28-21-6-4-3-5-7-21/h8-15,21H,2-7,16H2,1H3,(H,24,25)
InChIKeySJBPMCFLEFJUNF-UHFFFAOYSA-N
XLogP5.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclododecyl 4-acetamidobenzoate
CID 3973983
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
N-cyclohexyl-4-propoxybenzamide
CID 4938429
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate (CID 17128650) is cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate is CCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate?
The InChIKey is SJBPMCFLEFJUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-2-16-27-20-14-10-17(11-15-20)22(25)24-19-12-8-18(9-13-19)23(26)28-21-6-4-3-5-7-21/h8-15,21H,2-7,16H2,1H3,(H,24,25).
What are the key properties of cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate?
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate has a molecular weight of 381.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17128650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).