N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

C27H25NO4 — CID 19455386

IUPACN-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccccc3O)o2)cc1
InChIInChI=1S/C27H25NO4/c1-27(2,19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-18-22-16-17-25(32-22)26(30)28-23-10-6-7-11-24(23)29/h3-17,29H,18H2,1-2H3,(H,28,30)
InChIKeyZGDAJALGDPNSJD-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.14
Rot. Bonds7

About N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (PubChem CID 19455386) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
PubChem CID19455386
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccccc3O)o2)cc1
InChIInChI=1S/C27H25NO4/c1-27(2,19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-18-22-16-17-25(32-22)26(30)28-23-10-6-7-11-24(23)29/h3-17,29H,18H2,1-2H3,(H,28,30)
InChIKeyZGDAJALGDPNSJD-UHFFFAOYSA-N
XLogP6.14
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455416
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396316
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19450723
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
methyl 5-methyl-2-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19455480
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457114

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (CID 19455386) is N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccccc3O)o2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The InChIKey is ZGDAJALGDPNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-27(2,19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-18-22-16-17-25(32-22)26(30)28-23-10-6-7-11-24(23)29/h3-17,29H,18H2,1-2H3,(H,28,30).
What are the key properties of N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is sourced from PubChem (CID 19455386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).