N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide

C21H23NO3 — CID 23723492

IUPACN-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CCC(O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C21H23NO3/c1-14-9-10-19-17(13-14)15(2)20(25-19)21(24)22(3)12-11-18(23)16-7-5-4-6-8-16/h4-10,13,18,23H,11-12H2,1-3H3
InChIKeyPDHOCQLYMWRZRR-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.25
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide

N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 23723492) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide
PubChem CID23723492
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CCC(O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C21H23NO3/c1-14-9-10-19-17(13-14)15(2)20(25-19)21(24)22(3)12-11-18(23)16-7-5-4-6-8-16/h4-10,13,18,23H,11-12H2,1-3H3
InChIKeyPDHOCQLYMWRZRR-UHFFFAOYSA-N
XLogP4.25
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide (CID 23723492) is N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)CCC(O)c3ccccc3)c(C)c2c1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is PDHOCQLYMWRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14-9-10-19-17(13-14)15(2)20(25-19)21(24)22(3)12-11-18(23)16-7-5-4-6-8-16/h4-10,13,18,23H,11-12H2,1-3H3.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).