3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide

C24H26F3N3O4 — CID 55990563

IUPAC3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
SMILESO=C(C=Cc1ccccc1OC(F)(F)F)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C24H26F3N3O4/c25-24(26,27)34-21-7-2-1-5-19(21)8-9-22(31)28-17-18-4-3-6-20(16-18)29-23(32)10-11-30-12-14-33-15-13-30/h1-9,16H,10-15,17H2,(H,28,31)(H,29,32)
InChIKeyOUXHKKCCUXFJTO-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.58
Rot. Bonds9

About 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide

3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide (PubChem CID 55990563) has the molecular formula C24H26F3N3O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
PubChem CID55990563
Molecular FormulaC24H26F3N3O4
Molecular Weight477.48 g/mol
Exact Mass477.19
IUPAC Name3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
SMILESO=C(C=Cc1ccccc1OC(F)(F)F)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C24H26F3N3O4/c25-24(26,27)34-21-7-2-1-5-19(21)8-9-22(31)28-17-18-4-3-6-20(16-18)29-23(32)10-11-30-12-14-33-15-13-30/h1-9,16H,10-15,17H2,(H,28,31)(H,29,32)
InChIKeyOUXHKKCCUXFJTO-UHFFFAOYSA-N
XLogP3.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
CID 55888484
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55888231

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide (CID 55990563) is 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide is O=C(C=Cc1ccccc1OC(F)(F)F)NCc1cccc(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide?
The InChIKey is OUXHKKCCUXFJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O4/c25-24(26,27)34-21-7-2-1-5-19(21)8-9-22(31)28-17-18-4-3-6-20(16-18)29-23(32)10-11-30-12-14-33-15-13-30/h1-9,16H,10-15,17H2,(H,28,31)(H,29,32).
What are the key properties of 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide?
3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide has a molecular weight of 477.48 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide is sourced from PubChem (CID 55990563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).