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

C16H21F3N2O2 — CID 891690

IUPAC3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-11(2)9-15(22)20-13-10-12(16(17,18)19)3-4-14(13)21-5-7-23-8-6-21/h3-4,10-11H,5-9H2,1-2H3,(H,20,22)
InChIKeyQCQWCDXVGWKAQD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.53
Rot. Bonds4

About 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide

3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 891690) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID891690
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-11(2)9-15(22)20-13-10-12(16(17,18)19)3-4-14(13)21-5-7-23-8-6-21/h3-4,10-11H,5-9H2,1-2H3,(H,20,22)
InChIKeyQCQWCDXVGWKAQD-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

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
(3z)-3-{[(2-Methoxyethyl)amino]methylidene}-1-Methyl-5-Phenyl-7-(Trifluoromethyl)-1h-1,5-Benzodiazepine-2,4(3h,5h)-Dione
CID 53357432
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
3-Fluoro-N-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-benzamide
CID 1086047
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 953311
2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
CID 2349022
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 2963140
3-(2,6-Dimethyl-morpholin-4-yl)-N-p-tolyl-propionamide
CID 23724245
methyl N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamate
CID 1253511

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (CID 891690) is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is QCQWCDXVGWKAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11(2)9-15(22)20-13-10-12(16(17,18)19)3-4-14(13)21-5-7-23-8-6-21/h3-4,10-11H,5-9H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
3-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 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 891690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).