5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide

C26H24N2O3 — CID 19455416

IUPAC5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccncc3)o2)cc1
InChIInChI=1S/C26H24N2O3/c1-26(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)30-18-23-12-13-24(31-23)25(29)28-21-14-16-27-17-15-21/h3-17H,18H2,1-2H3,(H,27,28,29)
InChIKeyPHULSAMEZJOUAC-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.83
Rot. Bonds7

About 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide

5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide (PubChem CID 19455416) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
PubChem CID19455416
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccncc3)o2)cc1
InChIInChI=1S/C26H24N2O3/c1-26(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)30-18-23-12-13-24(31-23)25(29)28-21-14-16-27-17-15-21/h3-17H,18H2,1-2H3,(H,27,28,29)
InChIKeyPHULSAMEZJOUAC-UHFFFAOYSA-N
XLogP5.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19406478
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide (CID 19455416) is 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide is CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccncc3)o2)cc1.
What is the InChIKey of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is PHULSAMEZJOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-26(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)30-18-23-12-13-24(31-23)25(29)28-21-14-16-27-17-15-21/h3-17H,18H2,1-2H3,(H,27,28,29).
What are the key properties of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide?
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 19455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).