4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol

C29H43F3N4O3 — CID 143876369

IUPAC4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol
SMILESCC(C)CC(NC(c1ccccc1)C(F)(F)F)C(=O)NCCNc1ccc(N2CCOCC2)cc1.CCCO
InChIInChI=1S/C26H35F3N4O2.C3H8O/c1-19(2)18-23(32-24(26(27,28)29)20-6-4-3-5-7-20)25(34)31-13-12-30-21-8-10-22(11-9-21)33-14-16-35-17-15-33;1-2-3-4/h3-11,19,23-24,30,32H,12-18H2,1-2H3,(H,31,34);4H,2-3H2,1H3
InChIKeyOJYOACBFEZZZGK-UHFFFAOYSA-N
MW552.68 g/mol
LogP4.75
Rot. Bonds12

About 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol

4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol (PubChem CID 143876369) has the molecular formula C29H43F3N4O3 and a molecular weight of 552.68 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol.

Molecular Properties

Compound Name4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol
PubChem CID143876369
Molecular FormulaC29H43F3N4O3
Molecular Weight552.68 g/mol
Exact Mass552.33
IUPAC Name4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol
SMILESCC(C)CC(NC(c1ccccc1)C(F)(F)F)C(=O)NCCNc1ccc(N2CCOCC2)cc1.CCCO
InChIInChI=1S/C26H35F3N4O2.C3H8O/c1-19(2)18-23(32-24(26(27,28)29)20-6-4-3-5-7-20)25(34)31-13-12-30-21-8-10-22(11-9-21)33-14-16-35-17-15-33;1-2-3-4/h3-11,19,23-24,30,32H,12-18H2,1-2H3,(H,31,34);4H,2-3H2,1H3
InChIKeyOJYOACBFEZZZGK-UHFFFAOYSA-N
XLogP4.75
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol 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

ethane;4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]pentanamide
CID 143876267
benzyl N-methylcarbamate;4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide
CID 143876270
(2S)-2-[[(1S)-1-(4-cyanophenyl)-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]pentanamide
CID 143879244
2-[[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroethyl]amino]-4-methyl-N-[(2S)-1-(4-morpholin-4-ylanilino)butan-2-yl]pentanamide
CID 140543506
(2S)-2-[[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-methyl-N-[1-(4-morpholin-4-ylanilino)propan-2-yl]pentanamide
CID 52911582
N-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]ethyl]-4-methyl-2-[[2,2,2-trifluoro-1-(4-thiophen-3-ylphenyl)ethyl]amino]pentanamide
CID 52911637
(2S)-N-(aminomethyl)-4-methyl-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide
CID 70317414
4-methyl-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanoic acid
CID 76540409
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
(2S)-2-[[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 23648305
N-butyl-4-morpholin-4-ylaniline
CID 28675754
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol?
The IUPAC name of 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol (CID 143876369) is 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol.
What is the SMILES notation for 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol?
The canonical SMILES for 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol is CC(C)CC(NC(c1ccccc1)C(F)(F)F)C(=O)NCCNc1ccc(N2CCOCC2)cc1.CCCO.
What is the InChIKey of 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol?
The InChIKey is OJYOACBFEZZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N4O2.C3H8O/c1-19(2)18-23(32-24(26(27,28)29)20-6-4-3-5-7-20)25(34)31-13-12-30-21-8-10-22(11-9-21)33-14-16-35-17-15-33;1-2-3-4/h3-11,19,23-24,30,32H,12-18H2,1-2H3,(H,31,34);4H,2-3H2,1H3.
What are the key properties of 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol?
4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol has a molecular weight of 552.68 g/mol, XLogP of 4.75, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-morpholin-4-ylanilino)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanamide;propan-1-ol is sourced from PubChem (CID 143876369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).