cyclohexyl 4-(3-methylbutanoylamino)benzoate

C18H25NO3 — CID 17128664

IUPACcyclohexyl 4-(3-methylbutanoylamino)benzoate
SMILESCC(C)CC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(2)12-17(20)19-15-10-8-14(9-11-15)18(21)22-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyFFZKVUKFJZOXPZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.16
Rot. Bonds5

About cyclohexyl 4-(3-methylbutanoylamino)benzoate

cyclohexyl 4-(3-methylbutanoylamino)benzoate (PubChem CID 17128664) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is cyclohexyl 4-(3-methylbutanoylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(3-methylbutanoylamino)benzoate
PubChem CID17128664
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namecyclohexyl 4-(3-methylbutanoylamino)benzoate
SMILESCC(C)CC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(2)12-17(20)19-15-10-8-14(9-11-15)18(21)22-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyFFZKVUKFJZOXPZ-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54816270
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-(pentanoylcarbamothioylamino)benzoate
CID 19187732
cyclohexyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19165550
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(3-methylbutanoylamino)benzoate?
The IUPAC name of cyclohexyl 4-(3-methylbutanoylamino)benzoate (CID 17128664) is cyclohexyl 4-(3-methylbutanoylamino)benzoate.
What is the SMILES notation for cyclohexyl 4-(3-methylbutanoylamino)benzoate?
The canonical SMILES for cyclohexyl 4-(3-methylbutanoylamino)benzoate is CC(C)CC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 4-(3-methylbutanoylamino)benzoate?
The InChIKey is FFZKVUKFJZOXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)12-17(20)19-15-10-8-14(9-11-15)18(21)22-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of cyclohexyl 4-(3-methylbutanoylamino)benzoate?
cyclohexyl 4-(3-methylbutanoylamino)benzoate has a molecular weight of 303.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(3-methylbutanoylamino)benzoate is sourced from PubChem (CID 17128664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).