N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide

C24H26N2O2 — CID 68646027

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-11-13-18(14-12-17)16-22(27)26-20-9-7-15-25-23(20)28-21-10-6-5-8-19(21)24(2,3)4/h5-15H,16H2,1-4H3,(H,26,27)
InChIKeyNSKPAVOTZMJNDX-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.66
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 68646027) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID68646027
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-11-13-18(14-12-17)16-22(27)26-20-9-7-15-25-23(20)28-21-10-6-5-8-19(21)24(2,3)4/h5-15H,16H2,1-4H3,(H,26,27)
InChIKeyNSKPAVOTZMJNDX-UHFFFAOYSA-N
XLogP5.66
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 ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoyl]-N-sulfanylbenzamide
CID 87204344
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamothioyl]benzamide
CID 59128801
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 67026943
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[2-[(dimethylamino)methyl]phenyl]prop-2-enamide
CID 68645761
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(naphthalen-2-ylmethoxy)phenyl]urea
CID 68531646
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-hydroxy-4-pyridinylidene)urea
CID 154797385
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide (CID 68646027) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is NSKPAVOTZMJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-11-13-18(14-12-17)16-22(27)26-20-9-7-15-25-23(20)28-21-10-6-5-8-19(21)24(2,3)4/h5-15H,16H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 374.48 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 68646027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).