2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide

C25H28N2O3 — CID 67378993

IUPAC2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
SMILESCOc1cc(CC(N)=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C25H28N2O3/c1-25(2,3)21-15-20(18(14-23(26)28)13-22(21)29-4)19-11-8-12-27-24(19)30-16-17-9-6-5-7-10-17/h5-13,15H,14,16H2,1-4H3,(H2,26,28)
InChIKeyWXUCOGIVSBFOLY-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.66
Rot. Bonds7

About 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide

2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide (PubChem CID 67378993) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
PubChem CID67378993
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
SMILESCOc1cc(CC(N)=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C25H28N2O3/c1-25(2,3)21-15-20(18(14-23(26)28)13-22(21)29-4)19-11-8-12-27-24(19)30-16-17-9-6-5-7-10-17/h5-13,15H,14,16H2,1-4H3,(H2,26,28)
InChIKeyWXUCOGIVSBFOLY-UHFFFAOYSA-N
XLogP4.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
CID 59309481
tert-butyl N-[(1S,3S)-3-[[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]methylcarbamoyl]cyclopentyl]carbamate
CID 68593472
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
CID 122564734
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
methyl 5-[bis(methylsulfonyl)amino]-2-[2-[3-tert-butyl-2-methoxy-5-(2-phenylmethoxy-3-pyridinyl)phenyl]ethynyl]benzoate
CID 59583439
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050577
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide (CID 67378993) is 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide is COc1cc(CC(N)=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C.
What is the InChIKey of 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide?
The InChIKey is WXUCOGIVSBFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-25(2,3)21-15-20(18(14-23(26)28)13-22(21)29-4)19-11-8-12-27-24(19)30-16-17-9-6-5-7-10-17/h5-13,15H,14,16H2,1-4H3,(H2,26,28).
What are the key properties of 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide?
2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 67378993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).