tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C127H155N15O11 — CID 157241790

IUPACtert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C)(C)OC(=O)CN1CCc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cccnc23)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccn2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cnccn2)cc1.COc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H38N2O3.C22H25N5O3.C22H24N2O.C20H25NO2.C18H22N2O.C17H21N3O/c1-27(2,3)23-11-7-20(8-12-23)9-14-25(31)29-24-13-10-21-15-16-30(18-22(21)17-24)19-26(32)33-28(4,5)6;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-22(2,3)18-12-9-16(10-13-18)11-14-20(25)24-19-8-4-6-17-7-5-15-23-21(17)19;1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4;1-18(2,3)15-10-7-14(8-11-15)9-12-17(21)20-16-6-4-5-13-19-16;1-17(2,3)14-7-4-13(5-8-14)6-9-16(21)20-15-12-18-10-11-19-15/h7-8,10-13,17H,9,14-16,18-19H2,1-6H3,(H,29,31);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-10,12-13,15H,11,14H2,1-3H3,(H,24,25);5-10,12-13H,11,14H2,1-4H3,(H,21,22);4-8,10-11,13H,9,12H2,1-3H3,(H,19,20,21);4-5,7-8,10-12H,6,9H2,1-3H3,(H,19,20,21)
InChIKeyAVHLBBCZYCKTDZ-UHFFFAOYSA-N
MW2067.73 g/mol
LogP25.73
Rot. Bonds28

About tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 157241790) has the molecular formula C127H155N15O11 and a molecular weight of 2067.73 g/mol. Its IUPAC name is tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Nametert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID157241790
Molecular FormulaC127H155N15O11
Molecular Weight2067.73 g/mol
Exact Mass2066.20
IUPAC Nametert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C)(C)OC(=O)CN1CCc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cccnc23)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccn2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cnccn2)cc1.COc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H38N2O3.C22H25N5O3.C22H24N2O.C20H25NO2.C18H22N2O.C17H21N3O/c1-27(2,3)23-11-7-20(8-12-23)9-14-25(31)29-24-13-10-21-15-16-30(18-22(21)17-24)19-26(32)33-28(4,5)6;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-22(2,3)18-12-9-16(10-13-18)11-14-20(25)24-19-8-4-6-17-7-5-15-23-21(17)19;1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4;1-18(2,3)15-10-7-14(8-11-15)9-12-17(21)20-16-6-4-5-13-19-16;1-17(2,3)14-7-4-13(5-8-14)6-9-16(21)20-15-12-18-10-11-19-15/h7-8,10-13,17H,9,14-16,18-19H2,1-6H3,(H,29,31);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-10,12-13,15H,11,14H2,1-3H3,(H,24,25);5-10,12-13H,11,14H2,1-4H3,(H,21,22);4-8,10-11,13H,9,12H2,1-3H3,(H,19,20,21);4-5,7-8,10-12H,6,9H2,1-3H3,(H,19,20,21)
InChIKeyAVHLBBCZYCKTDZ-UHFFFAOYSA-N
XLogP25.73
TPSA337.85 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.73
LogP ≤ 525.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide with MolForge

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Related Compounds

tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159770689
tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;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;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159993846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 157241790) is tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(C)(C)OC(=O)CN1CCc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cccnc23)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccn2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cnccn2)cc1.COc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is AVHLBBCZYCKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3.C22H25N5O3.C22H24N2O.C20H25NO2.C18H22N2O.C17H21N3O/c1-27(2,3)23-11-7-20(8-12-23)9-14-25(31)29-24-13-10-21-15-16-30(18-22(21)17-24)19-26(32)33-28(4,5)6;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-22(2,3)18-12-9-16(10-13-18)11-14-20(25)24-19-8-4-6-17-7-5-15-23-21(17)19;1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4;1-18(2,3)15-10-7-14(8-11-15)9-12-17(21)20-16-6-4-5-13-19-16;1-17(2,3)14-7-4-13(5-8-14)6-9-16(21)20-15-12-18-10-11-19-15/h7-8,10-13,17H,9,14-16,18-19H2,1-6H3,(H,29,31);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-10,12-13,15H,11,14H2,1-3H3,(H,24,25);5-10,12-13H,11,14H2,1-4H3,(H,21,22);4-8,10-11,13H,9,12H2,1-3H3,(H,19,20,21);4-5,7-8,10-12H,6,9H2,1-3H3,(H,19,20,21).
What are the key properties of tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 2067.73 g/mol, XLogP of 25.73, 28 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 157241790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).