3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide

C90H101N5O13 — CID 159685856

IUPAC3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)o1.O=C(CCc1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C31H37NO3.C22H27NO3.C20H18N2O3.C17H19NO4/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27;1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15/h7-16,19,26H,17-18,20H2,1-6H3,(H,32,33);5-10,14-15H,11-13H2,1-4H3,(H,23,24);1-4,6-7,11-13H,5,8-10H2,(H,22,23);3-5,7,11H,2,6,8-10H2,1H3,(H,18,19)
InChIKeyMVTZWNWKBKECEB-UHFFFAOYSA-N
MW1460.82 g/mol
LogP18.86
Rot. Bonds18

About 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide

3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide (PubChem CID 159685856) has the molecular formula C90H101N5O13 and a molecular weight of 1460.82 g/mol. Its IUPAC name is 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide
PubChem CID159685856
Molecular FormulaC90H101N5O13
Molecular Weight1460.82 g/mol
Exact Mass1459.74
IUPAC Name3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)o1.O=C(CCc1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C31H37NO3.C22H27NO3.C20H18N2O3.C17H19NO4/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27;1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15/h7-16,19,26H,17-18,20H2,1-6H3,(H,32,33);5-10,14-15H,11-13H2,1-4H3,(H,23,24);1-4,6-7,11-13H,5,8-10H2,(H,22,23);3-5,7,11H,2,6,8-10H2,1H3,(H,18,19)
InChIKeyMVTZWNWKBKECEB-UHFFFAOYSA-N
XLogP18.86
TPSA216.27 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.82
LogP ≤ 518.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2-((6,7-dimethoxyquinolin-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960308
Quinostatin
CID 6620134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
CID 1219675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1220296
N-(3,4-dimethoxyphenyl)-6-methyl-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 1261752
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-phenylquinoline-4-carboxamide
CID 71697462
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 71697463
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 71697464
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-phenylquinoline-4-carboxamide
CID 71697567
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 71697568
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 71697671

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?
The IUPAC name of 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide (CID 159685856) is 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide.
What is the SMILES notation for 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?
The canonical SMILES for 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)o1.O=C(CCc1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?
The InChIKey is MVTZWNWKBKECEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO3.C22H27NO3.C20H18N2O3.C17H19NO4/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27;1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15/h7-16,19,26H,17-18,20H2,1-6H3,(H,32,33);5-10,14-15H,11-13H2,1-4H3,(H,23,24);1-4,6-7,11-13H,5,8-10H2,(H,22,23);3-5,7,11H,2,6,8-10H2,1H3,(H,18,19).
What are the key properties of 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?
3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide has a molecular weight of 1460.82 g/mol, XLogP of 18.86, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide is sourced from PubChem (CID 159685856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).