2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C20H29F3N4O3 — CID 3514571

IUPAC2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCCCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H29F3N4O3/c21-20(22,23)16-2-3-18(27-8-12-30-13-9-27)17(14-16)25-19(28)15-24-4-1-5-26-6-10-29-11-7-26/h2-3,14,24H,1,4-13,15H2,(H,25,28)
InChIKeyUMOWACQENIKNMK-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.79
Rot. Bonds8

About 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 3514571) has the molecular formula C20H29F3N4O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID3514571
Molecular FormulaC20H29F3N4O3
Molecular Weight430.47 g/mol
Exact Mass430.22
IUPAC Name2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCCCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H29F3N4O3/c21-20(22,23)16-2-3-18(27-8-12-30-13-9-27)17(14-16)25-19(28)15-24-4-1-5-26-6-10-29-11-7-26/h2-3,14,24H,1,4-13,15H2,(H,25,28)
InChIKeyUMOWACQENIKNMK-UHFFFAOYSA-N
XLogP1.79
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 4855837
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 3514571) is 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CNCCCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UMOWACQENIKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N4O3/c21-20(22,23)16-2-3-18(27-8-12-30-13-9-27)17(14-16)25-19(28)15-24-4-1-5-26-6-10-29-11-7-26/h2-3,14,24H,1,4-13,15H2,(H,25,28).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3514571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).