N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide

C24H24N2O2 — CID 67026955

IUPACN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC(C)(C)c1cccc(Oc2ncccc2NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-24(2,3)19-11-7-12-20(17-19)28-23-21(13-8-16-25-23)26-22(27)15-14-18-9-5-4-6-10-18/h4-17H,1-3H3,(H,26,27)
InChIKeyOBVLYXVOMNQDBQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.82
Rot. Bonds5

About N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide

N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide (PubChem CID 67026955) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
PubChem CID67026955
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC(C)(C)c1cccc(Oc2ncccc2NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-24(2,3)19-11-7-12-20(17-19)28-23-21(13-8-16-25-23)26-22(27)15-14-18-9-5-4-6-10-18/h4-17H,1-3H3,(H,26,27)
InChIKeyOBVLYXVOMNQDBQ-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-bromophenyl)-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]prop-2-enamide
CID 68645348
1-(4-tert-butylphenyl)-3-[2-(3-phenylphenoxy)-3-pyridinyl]urea
CID 68528476
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 67026943
(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide
CID 166205623
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[2-[(dimethylamino)methyl]phenyl]prop-2-enamide
CID 68645761
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide (CID 67026955) is N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide is CC(C)(C)c1cccc(Oc2ncccc2NC(=O)C=Cc2ccccc2)c1.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide?
The InChIKey is OBVLYXVOMNQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-24(2,3)19-11-7-12-20(17-19)28-23-21(13-8-16-25-23)26-22(27)15-14-18-9-5-4-6-10-18/h4-17H,1-3H3,(H,26,27).
What are the key properties of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide?
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 67026955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).