N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

C14H22F2N4O2 — CID 71876588

IUPACN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCCc2nccn2C(F)F)CC(C)O1
InChIInChI=1S/C14H22F2N4O2/c1-3-11-9-19(8-10(2)22-11)14(21)18-5-4-12-17-6-7-20(12)13(15)16/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyGWQCQWTXBPJVSC-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (PubChem CID 71876588) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
PubChem CID71876588
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC NameN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCCc2nccn2C(F)F)CC(C)O1
InChIInChI=1S/C14H22F2N4O2/c1-3-11-9-19(8-10(2)22-11)14(21)18-5-4-12-17-6-7-20(12)13(15)16/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyGWQCQWTXBPJVSC-UHFFFAOYSA-N
XLogP2.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The IUPAC name of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (CID 71876588) is N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is CCC1CN(C(=O)NCCc2nccn2C(F)F)CC(C)O1.
What is the InChIKey of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The InChIKey is GWQCQWTXBPJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-3-11-9-19(8-10(2)22-11)14(21)18-5-4-12-17-6-7-20(12)13(15)16/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71876588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).