3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide

C81H88N6O9 — CID 159887325

IUPAC3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2cccnc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C28H31NO4.C27H30N2O4.C26H27N3O/c1-28(2,3)21-9-5-19(6-10-21)24(20-7-12-23(31-4)13-8-20)18-27(30)29-22-11-14-25-26(17-22)33-16-15-32-25;1-27(2,3)20-8-5-18(6-9-20)22(19-7-12-26(31-4)28-17-19)16-25(30)29-21-10-11-23-24(15-21)33-14-13-32-23;1-26(2,3)21-8-6-18(7-9-21)23(20-5-4-13-27-17-20)16-25(30)29-22-10-11-24-19(15-22)12-14-28-24/h5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);5-12,15,17,22H,13-14,16H2,1-4H3,(H,29,30);4-15,17,23,28H,16H2,1-3H3,(H,29,30)
InChIKeyNUHKXZPMPKUVBP-UHFFFAOYSA-N
MW1289.63 g/mol
LogP17.27
Rot. Bonds17

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide (PubChem CID 159887325) has the molecular formula C81H88N6O9 and a molecular weight of 1289.63 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide
PubChem CID159887325
Molecular FormulaC81H88N6O9
Molecular Weight1289.63 g/mol
Exact Mass1288.66
IUPAC Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2cccnc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C28H31NO4.C27H30N2O4.C26H27N3O/c1-28(2,3)21-9-5-19(6-10-21)24(20-7-12-23(31-4)13-8-20)18-27(30)29-22-11-14-25-26(17-22)33-16-15-32-25;1-27(2,3)20-8-5-18(6-9-20)22(19-7-12-26(31-4)28-17-19)16-25(30)29-21-10-11-23-24(15-21)33-14-13-32-23;1-26(2,3)21-8-6-18(7-9-21)23(20-5-4-13-27-17-20)16-25(30)29-22-10-11-24-19(15-22)12-14-28-24/h5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);5-12,15,17,22H,13-14,16H2,1-4H3,(H,29,30);4-15,17,23,28H,16H2,1-3H3,(H,29,30)
InChIKeyNUHKXZPMPKUVBP-UHFFFAOYSA-N
XLogP17.27
TPSA184.25 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001289.63
LogP ≤ 517.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 160974888
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1H-indol-5-yloxy)acetamide
CID 167888440
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
CID 110374361
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1304709
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethoxy-1-pyridin-3-ylethyl)acetamide
CID 86794050
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
CID 99784502

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide (CID 159887325) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2cccnc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.COc1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is NUHKXZPMPKUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4.C27H30N2O4.C26H27N3O/c1-28(2,3)21-9-5-19(6-10-21)24(20-7-12-23(31-4)13-8-20)18-27(30)29-22-11-14-25-26(17-22)33-16-15-32-25;1-27(2,3)20-8-5-18(6-9-20)22(19-7-12-26(31-4)28-17-19)16-25(30)29-21-10-11-23-24(15-21)33-14-13-32-23;1-26(2,3)21-8-6-18(7-9-21)23(20-5-4-13-27-17-20)16-25(30)29-22-10-11-24-19(15-22)12-14-28-24/h5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);5-12,15,17,22H,13-14,16H2,1-4H3,(H,29,30);4-15,17,23,28H,16H2,1-3H3,(H,29,30).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide?
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 1289.63 g/mol, XLogP of 17.27, 17 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3-pyridinyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 159887325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).