4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

C20H28F3N3O2 — CID 16621291

IUPAC4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCNC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H28F3N3O2/c1-14(15-7-5-8-16(13-15)20(21,22)23)25-18(27)11-6-12-24-19(28)26-17-9-3-2-4-10-17/h5,7-8,13-14,17H,2-4,6,9-12H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyQHUZBSWHRYNUTB-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.29
Rot. Bonds7

About 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 16621291) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID16621291
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCNC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H28F3N3O2/c1-14(15-7-5-8-16(13-15)20(21,22)23)25-18(27)11-6-12-24-19(28)26-17-9-3-2-4-10-17/h5,7-8,13-14,17H,2-4,6,9-12H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyQHUZBSWHRYNUTB-UHFFFAOYSA-N
XLogP4.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 16614862
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
CID 16557098
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-cyclopropyl-4-[[N'-methyl-N-[3-[3-(trifluoromethyl)phenyl]butyl]carbamimidoyl]amino]butanamide
CID 111711609

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 16621291) is 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is CC(NC(=O)CCCNC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is QHUZBSWHRYNUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-14(15-7-5-8-16(13-15)20(21,22)23)25-18(27)11-6-12-24-19(28)26-17-9-3-2-4-10-17/h5,7-8,13-14,17H,2-4,6,9-12H2,1H3,(H,25,27)(H2,24,26,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 399.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 16621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).