4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide

C24H26N2O2 — CID 84559706

IUPAC4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-8-5-6-9-19(17)16-28-21-10-7-15-25-22(21)26-23(27)18-11-13-20(14-12-18)24(2,3)4/h5-15H,16H2,1-4H3,(H,25,26,27)
InChIKeyBOZSCHIDWOUBHI-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.52
Rot. Bonds5

About 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide

4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide (PubChem CID 84559706) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
PubChem CID84559706
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-8-5-6-9-19(17)16-28-21-10-7-15-25-22(21)26-23(27)18-11-13-20(14-12-18)24(2,3)4/h5-15H,16H2,1-4H3,(H,25,26,27)
InChIKeyBOZSCHIDWOUBHI-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
CID 84559658
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
CID 84559868
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide (CID 84559706) is 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide is Cc1ccccc1COc1cccnc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
The InChIKey is BOZSCHIDWOUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-8-5-6-9-19(17)16-28-21-10-7-15-25-22(21)26-23(27)18-11-13-20(14-12-18)24(2,3)4/h5-15H,16H2,1-4H3,(H,25,26,27).
What are the key properties of 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide?
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 84559706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).