N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

C16H21F3N2O2 — CID 56874859

IUPACN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)
InChIKeyQDCFVUZXIXZOBX-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 56874859) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID56874859
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)
InChIKeyQDCFVUZXIXZOBX-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide 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-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 56874859) is N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is Cc1ccc(CNC(=O)CCN2CCOC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is QDCFVUZXIXZOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-12-2-4-13(5-3-12)10-20-15(22)6-7-21-8-9-23-14(11-21)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56874859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).