N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one

C145H225N9O10 — CID 161236386

About N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one

N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one (PubChem CID 161236386) has the molecular formula C145H225N9O10 and a molecular weight of 2254.45 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one.

Molecular Properties

• Compound Name: N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one
• PubChem CID: 161236386
• Molecular Formula: C145H225N9O10
• Molecular Weight: 2254.45 g/mol
• Exact Mass: 2252.74
• IUPAC Name: N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one
• SMILES: CC(C)(C)C(=O)Cc1cc(C(C)(C)C)ccn1.CC(C)(C)C(=O)Cc1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccn1.CC(C)(C)NC(=O)c1cc(OC(C)(C)C)ccn1.CC(C)(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cccc(OC(C)(C)C)c1.CC(C)(C)Oc1cccc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1
• InChI: InChI=1S/C16H24O2.C16H24O.C15H23NO2.2C15H23NO.C14H22N2O2.C14H22N2O.C14H22.2C13H21N/c1-15(2,3)14(17)11-12-8-7-9-13(10-12)18-16(4,5)6;1-15(2,3)13-9-7-8-12(10-13)11-14(17)16(4,5)6;1-14(2,3)16-13(17)11-8-7-9-12(10-11)18-15(4,5)6;1-14(2,3)11-7-8-16-12(9-11)10-13(17)15(4,5)6;1-14(2,3)12-9-7-8-11(10-12)13(17)16-15(4,5)6;1-13(2,3)16-12(17)11-9-10(7-8-15-11)18-14(4,5)6;1-13(2,3)10-7-8-15-11(9-10)12(17)16-14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6/h7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,1-6H3,(H,16,17);7-9H,10H2,1-6H3;7-10H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-10H,1-6H3;2*7-9H,1-6H3
• InChIKey: UZKSBPYNNZBPEI-UHFFFAOYSA-N
• XLogP: 35.93
• TPSA: 259.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.45
LogP ≤ 5	35.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one?

The IUPAC name of N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one (CID 161236386) is N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one.

What is the SMILES notation for N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one?

The canonical SMILES for N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one is CC(C)(C)C(=O)Cc1cc(C(C)(C)C)ccn1.CC(C)(C)C(=O)Cc1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccn1.CC(C)(C)NC(=O)c1cc(OC(C)(C)C)ccn1.CC(C)(C)NC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cccc(OC(C)(C)C)c1.CC(C)(C)Oc1cccc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.

What is the InChIKey of N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one?

The InChIKey is UZKSBPYNNZBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C16H24O.C15H23NO2.2C15H23NO.C14H22N2O2.C14H22N2O.C14H22.2C13H21N/c1-15(2,3)14(17)11-12-8-7-9-13(10-12)18-16(4,5)6;1-15(2,3)13-9-7-8-12(10-13)11-14(17)16(4,5)6;1-14(2,3)16-13(17)11-8-7-9-12(10-11)18-15(4,5)6;1-14(2,3)11-7-8-16-12(9-11)10-13(17)15(4,5)6;1-14(2,3)12-9-7-8-11(10-12)13(17)16-15(4,5)6;1-13(2,3)16-12(17)11-9-10(7-8-15-11)18-14(4,5)6;1-13(2,3)10-7-8-15-11(9-10)12(17)16-14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6/h7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,1-6H3,(H,16,17);7-9H,10H2,1-6H3;7-10H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-10H,1-6H3;2*7-9H,1-6H3.

What are the key properties of N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one?

N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one has a molecular weight of 2254.45 g/mol, XLogP of 35.93, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one is sourced from PubChem (CID 161236386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).