cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate

C22H25NO5 — CID 985959

IUPACcyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H25NO5/c1-26-19-13-10-16(14-20(19)27-2)21(24)23-17-11-8-15(9-12-17)22(25)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,24)
InChIKeyPYSCJCJAWSRBNQ-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.45
Rot. Bonds6

About cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate

cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate (PubChem CID 985959) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
PubChem CID985959
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namecyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H25NO5/c1-26-19-13-10-16(14-20(19)27-2)21(24)23-17-11-8-15(9-12-17)22(25)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,24)
InChIKeyPYSCJCJAWSRBNQ-UHFFFAOYSA-N
XLogP4.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate (CID 985959) is cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC.
What is the InChIKey of cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate?
The InChIKey is PYSCJCJAWSRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-19-13-10-16(14-20(19)27-2)21(24)23-17-11-8-15(9-12-17)22(25)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,24).
What are the key properties of cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate?
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate has a molecular weight of 383.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 985959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).