N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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

C116H180N6O7 — CID 162033903

IUPACN-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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
SMILESCC(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)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
InChIInChI=1S/C16H24O2.C16H24O.C15H23NO2.C15H23NO.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)12-9-7-8-11(10-12)13(17)16-15(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);7-10H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-10H,1-6H3;2*7-9H,1-6H3
InChIKeyYWJWENZMOYOXSF-UHFFFAOYSA-N
MW1770.75 g/mol
LogP29.61
Rot. Bonds9

About N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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;1-(3-tert-butylphenyl)-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 162033903) has the molecular formula C116H180N6O7 and a molecular weight of 1770.75 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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 NameN-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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 CID162033903
Molecular FormulaC116H180N6O7
Molecular Weight1770.75 g/mol
Exact Mass1769.39
IUPAC NameN-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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
SMILESCC(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)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
InChIInChI=1S/C16H24O2.C16H24O.C15H23NO2.C15H23NO.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)12-9-7-8-11(10-12)13(17)16-15(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);7-10H,1-6H3,(H,16,17);7-9H,1-6H3,(H,16,17);7-10H,1-6H3;2*7-9H,1-6H3
InChIKeyYWJWENZMOYOXSF-UHFFFAOYSA-N
XLogP29.61
TPSA178.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001770.75
LogP ≤ 529.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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 with MolForge

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Related Compounds

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N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71499172
US9957263, Example 153
CID 117775828
US9877957, Example 5
CID 118930792
Bz(4-OMe)-DL-N(pyrid-2-ylmethyl)Phg(Ph(4-OMe))-NHtBu
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N-[[(1S,4aS,10aR)-1-[(3-methoxyphenyl)methyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]pyridine-2-carboxamide
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4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
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N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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;1-(3-tert-butylphenyl)-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 162033903) is N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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;1-(3-tert-butylphenyl)-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;1-(3-tert-butylphenyl)-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)Cc1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cc(C(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;1-(3-tert-butylphenyl)-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 YWJWENZMOYOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C16H24O.C15H23NO2.C15H23NO.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)12-9-7-8-11(10-12)13(17)16-15(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);7-10H,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;1-(3-tert-butylphenyl)-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;1-(3-tert-butylphenyl)-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 1770.75 g/mol, XLogP of 29.61, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-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 162033903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).