3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one

C108H138N8O4 — CID 158347593

IUPAC3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)cn1.CC(C)(C)c1ccc(-c2ccc(=O)[nH]c2)cc1.CC(C)Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1cccc(C(C)(C)C)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(C)n1.Cc1ccncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21NO.C17H24N2.C17H21N.C16H19N.C15H17NO.C13H19NO.C12H17NO/c1-13(20)11-17-10-7-15(12-19-17)14-5-8-16(9-6-14)18(2,3)4;1-13(2)11-19-12-15(10-18-19)14-6-8-16(9-7-14)17(3,4)5;1-12-6-11-16(13(2)18-12)14-7-9-15(10-8-14)17(3,4)5;1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(17)16-10-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4/h5-10,12H,11H2,1-4H3;6-10,12-13H,11H2,1-5H3;6-11H,1-5H3;5-11H,1-4H3;4-10H,1-3H3,(H,16,17);6-9H,1-5H3;5-8H,1-4H3,(H,13,14)
InChIKeyGRXQKCHZAWUGAV-UHFFFAOYSA-N
MW1612.34 g/mol
LogP26.07
Rot. Bonds11

About 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one

3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one (PubChem CID 158347593) has the molecular formula C108H138N8O4 and a molecular weight of 1612.34 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one
PubChem CID158347593
Molecular FormulaC108H138N8O4
Molecular Weight1612.34 g/mol
Exact Mass1611.08
IUPAC Name3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)cn1.CC(C)(C)c1ccc(-c2ccc(=O)[nH]c2)cc1.CC(C)Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1cccc(C(C)(C)C)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(C)n1.Cc1ccncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21NO.C17H24N2.C17H21N.C16H19N.C15H17NO.C13H19NO.C12H17NO/c1-13(20)11-17-10-7-15(12-19-17)14-5-8-16(9-6-14)18(2,3)4;1-13(2)11-19-12-15(10-18-19)14-6-8-16(9-7-14)17(3,4)5;1-12-6-11-16(13(2)18-12)14-7-9-15(10-8-14)17(3,4)5;1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(17)16-10-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4/h5-10,12H,11H2,1-4H3;6-10,12-13H,11H2,1-5H3;6-11H,1-5H3;5-11H,1-4H3;4-10H,1-3H3,(H,16,17);6-9H,1-5H3;5-8H,1-4H3,(H,13,14)
InChIKeyGRXQKCHZAWUGAV-UHFFFAOYSA-N
XLogP26.07
TPSA155.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.34
LogP ≤ 526.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one with MolForge

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Related Compounds

3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl) (piperazin-1-yl)methanone
CID 118660879
4-[2-methyl-4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56673418
N-benzyl-2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]acetamide
CID 71601634
2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide
CID 71601488
2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 71601636
3-[2-oxo-5-(1-piperidin-1-ium-4-ylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 72200401
5-(1-benzoylpiperidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 172471010
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90094535
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90094914
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90096034
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90096317

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one?
The IUPAC name of 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one (CID 158347593) is 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)cn1.CC(C)(C)c1ccc(-c2ccc(=O)[nH]c2)cc1.CC(C)Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1cccc(C(C)(C)C)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(C)n1.Cc1ccncc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one?
The InChIKey is GRXQKCHZAWUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C17H24N2.C17H21N.C16H19N.C15H17NO.C13H19NO.C12H17NO/c1-13(20)11-17-10-7-15(12-19-17)14-5-8-16(9-6-14)18(2,3)4;1-13(2)11-19-12-15(10-18-19)14-6-8-16(9-7-14)17(3,4)5;1-12-6-11-16(13(2)18-12)14-7-9-15(10-8-14)17(3,4)5;1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(17)16-10-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4/h5-10,12H,11H2,1-4H3;6-10,12-13H,11H2,1-5H3;6-11H,1-5H3;5-11H,1-4H3;4-10H,1-3H3,(H,16,17);6-9H,1-5H3;5-8H,1-4H3,(H,13,14).
What are the key properties of 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one?
3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one has a molecular weight of 1612.34 g/mol, XLogP of 26.07, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;4-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole;3-(4-tert-butylphenyl)-4-methylpyridine;5-(4-tert-butylphenyl)-1H-pyridin-2-one;1-[5-(4-tert-butylphenyl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 158347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).