4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide

C17H27F2N5O2 — CID 38344304

IUPAC4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C17H27F2N5O2/c1-23(12-14-20-10-11-24(14)16(18)19)15(25)8-5-9-21-17(26)22-13-6-3-2-4-7-13/h10-11,13,16H,2-9,12H2,1H3,(H2,21,22,26)
InChIKeyKPYGDCOSPJWMAT-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.65
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide

4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide (PubChem CID 38344304) has the molecular formula C17H27F2N5O2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide
PubChem CID38344304
Molecular FormulaC17H27F2N5O2
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C17H27F2N5O2/c1-23(12-14-20-10-11-24(14)16(18)19)15(25)8-5-9-21-17(26)22-13-6-3-2-4-7-13/h10-11,13,16H,2-9,12H2,1H3,(H2,21,22,26)
InChIKeyKPYGDCOSPJWMAT-UHFFFAOYSA-N
XLogP2.65
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide (CID 38344304) is 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide is CN(Cc1nccn1C(F)F)C(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide?
The InChIKey is KPYGDCOSPJWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N5O2/c1-23(12-14-20-10-11-24(14)16(18)19)15(25)8-5-9-21-17(26)22-13-6-3-2-4-7-13/h10-11,13,16H,2-9,12H2,1H3,(H2,21,22,26).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide?
4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide has a molecular weight of 371.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 38344304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).