butyl 4-(cyclohexylcarbamoylamino)benzoate

C18H26N2O3 — CID 5108905

IUPACbutyl 4-(cyclohexylcarbamoylamino)benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-13-23-17(21)14-9-11-16(12-10-14)20-18(22)19-15-7-5-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H2,19,20,22)
InChIKeyAJMSNXOAYHWZNX-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.10
Rot. Bonds6

About butyl 4-(cyclohexylcarbamoylamino)benzoate

butyl 4-(cyclohexylcarbamoylamino)benzoate (PubChem CID 5108905) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is butyl 4-(cyclohexylcarbamoylamino)benzoate.

Molecular Properties

Compound Namebutyl 4-(cyclohexylcarbamoylamino)benzoate
PubChem CID5108905
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebutyl 4-(cyclohexylcarbamoylamino)benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-13-23-17(21)14-9-11-16(12-10-14)20-18(22)19-15-7-5-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H2,19,20,22)
InChIKeyAJMSNXOAYHWZNX-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzoate
CID 26507517
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 11624073
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927767
butyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7548244
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422

Frequently Asked Questions

What is the IUPAC name of butyl 4-(cyclohexylcarbamoylamino)benzoate?
The IUPAC name of butyl 4-(cyclohexylcarbamoylamino)benzoate (CID 5108905) is butyl 4-(cyclohexylcarbamoylamino)benzoate.
What is the SMILES notation for butyl 4-(cyclohexylcarbamoylamino)benzoate?
The canonical SMILES for butyl 4-(cyclohexylcarbamoylamino)benzoate is CCCCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of butyl 4-(cyclohexylcarbamoylamino)benzoate?
The InChIKey is AJMSNXOAYHWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-3-13-23-17(21)14-9-11-16(12-10-14)20-18(22)19-15-7-5-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H2,19,20,22).
What are the key properties of butyl 4-(cyclohexylcarbamoylamino)benzoate?
butyl 4-(cyclohexylcarbamoylamino)benzoate has a molecular weight of 318.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(cyclohexylcarbamoylamino)benzoate is sourced from PubChem (CID 5108905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).