N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide

C23H24N2O2 — CID 68648508

IUPACN-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)C(Oc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(26)21(17-8-7-15-24-16-17)27-20-9-5-4-6-10-20/h4-16,21H,1-3H3,(H,25,26)
InChIKeyDIXMSISDDHROJB-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.14
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide

N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide (PubChem CID 68648508) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide
PubChem CID68648508
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)C(Oc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(26)21(17-8-7-15-24-16-17)27-20-9-5-4-6-10-20/h4-16,21H,1-3H3,(H,25,26)
InChIKeyDIXMSISDDHROJB-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
CID 22714112
2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
CID 22668094
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 119253867
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide (CID 68648508) is N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide is CC(C)(C)c1ccc(NC(=O)C(Oc2ccccc2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide?
The InChIKey is DIXMSISDDHROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(26)21(17-8-7-15-24-16-17)27-20-9-5-4-6-10-20/h4-16,21H,1-3H3,(H,25,26).
What are the key properties of N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide?
N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide is sourced from PubChem (CID 68648508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).