4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide

C22H30N4O2 — CID 18153096

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1cccc2cccnc12
InChIInChI=1S/C22H30N4O2/c27-20(12-6-15-25-22(28)26-19-10-2-1-3-11-19)23-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h4-5,7-9,14,19H,1-3,6,10-13,15-16H2,(H,23,27)(H2,25,26,28)
InChIKeyLGBDIYZASUEZDI-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.31
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide (PubChem CID 18153096) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
PubChem CID18153096
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1cccc2cccnc12
InChIInChI=1S/C22H30N4O2/c27-20(12-6-15-25-22(28)26-19-10-2-1-3-11-19)23-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h4-5,7-9,14,19H,1-3,6,10-13,15-16H2,(H,23,27)(H2,25,26,28)
InChIKeyLGBDIYZASUEZDI-UHFFFAOYSA-N
XLogP3.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
CID 51117990
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
CID 119840582

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide (CID 18153096) is 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCCc1cccc2cccnc12.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide?
The InChIKey is LGBDIYZASUEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-20(12-6-15-25-22(28)26-19-10-2-1-3-11-19)23-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h4-5,7-9,14,19H,1-3,6,10-13,15-16H2,(H,23,27)(H2,25,26,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide has a molecular weight of 382.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide is sourced from PubChem (CID 18153096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).