3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C84H96F3N9O6 — CID 159607818

IUPAC3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C23H26N2O.C23H32N2O.C20H24N2O3.C18H14F3N3O/c1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25)
InChIKeyMMHOAKMSHURHEQ-UHFFFAOYSA-N
MW1384.74 g/mol
LogP18.76
Rot. Bonds19

About 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 159607818) has the molecular formula C84H96F3N9O6 and a molecular weight of 1384.74 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID159607818
Molecular FormulaC84H96F3N9O6
Molecular Weight1384.74 g/mol
Exact Mass1383.74
IUPAC Name3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C23H26N2O.C23H32N2O.C20H24N2O3.C18H14F3N3O/c1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25)
InChIKeyMMHOAKMSHURHEQ-UHFFFAOYSA-N
XLogP18.76
TPSA189.66 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001384.74
LogP ≤ 518.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide 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

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 71697465
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 71697673
N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 71697783
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-phenylquinoline-4-carboxamide
CID 71697883
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 71697979
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 71697980
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 71697981
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 71698086
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 71698183
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-quinolin-4-ylacetamide
CID 51361388
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90773905
2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iminoacetamide
CID 123188508

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 159607818) is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is MMHOAKMSHURHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.C23H32N2O.C20H24N2O3.C18H14F3N3O/c1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 1384.74 g/mol, XLogP of 18.76, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 159607818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).