2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide

C16H21F3N2O2 — CID 51331092

IUPAC2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-3-11(2)15(22)20-13-10-12(16(17,18)19)4-5-14(13)21-6-8-23-9-7-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,22)
InChIKeyZTNQHSZKXQRKKM-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide

2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 51331092) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID51331092
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-3-11(2)15(22)20-13-10-12(16(17,18)19)4-5-14(13)21-6-8-23-9-7-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,22)
InChIKeyZTNQHSZKXQRKKM-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 112781252
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42911850
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
2-(4-methylsulfanylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 78760017
(2R)-2-(2,4-dimethylimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 92808243
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (CID 51331092) is 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is CCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is ZTNQHSZKXQRKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-3-11(2)15(22)20-13-10-12(16(17,18)19)4-5-14(13)21-6-8-23-9-7-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 330.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 51331092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).