5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide

C18H17NO3 — CID 18963782

IUPAC5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H17NO3/c1-11(2)21-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-17(16)18(19)20/h3-11H,1-2H3,(H2,19,20)
InChIKeyYFVWRMLAFDYLMB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.99
Rot. Bonds4

About 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide

5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide (PubChem CID 18963782) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide
PubChem CID18963782
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1c(C(N)=O)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H17NO3/c1-11(2)21-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-17(16)18(19)20/h3-11H,1-2H3,(H2,19,20)
InChIKeyYFVWRMLAFDYLMB-UHFFFAOYSA-N
XLogP3.99
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 135358335
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963780
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
3-chloro-2-methyl-8-phenyldibenzofuran
CID 146616849
8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
CID 164686322

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The IUPAC name of 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide (CID 18963782) is 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide is CC(C)Oc1c(C(N)=O)oc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The InChIKey is YFVWRMLAFDYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(2)21-16-14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-17(16)18(19)20/h3-11H,1-2H3,(H2,19,20).
What are the key properties of 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18963782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).