2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide

C25H25NO3 — CID 91445160

IUPAC2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)N(C)Cc1cccc2cc(O)ccc12
InChIInChI=1S/C25H25NO3/c1-3-4-11-23-24(21-10-5-6-12-22(21)29-23)25(28)26(2)16-18-9-7-8-17-15-19(27)13-14-20(17)18/h5-10,12-15,27H,3-4,11,16H2,1-2H3
InChIKeyAJZZWXLWJFIDLA-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.91
Rot. Bonds6

About 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide

2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 91445160) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID91445160
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)N(C)Cc1cccc2cc(O)ccc12
InChIInChI=1S/C25H25NO3/c1-3-4-11-23-24(21-10-5-6-12-22(21)29-23)25(28)26(2)16-18-9-7-8-17-15-19(27)13-14-20(17)18/h5-10,12-15,27H,3-4,11,16H2,1-2H3
InChIKeyAJZZWXLWJFIDLA-UHFFFAOYSA-N
XLogP5.91
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide (CID 91445160) is 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)N(C)Cc1cccc2cc(O)ccc12.
What is the InChIKey of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is AJZZWXLWJFIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-4-11-23-24(21-10-5-6-12-22(21)29-23)25(28)26(2)16-18-9-7-8-17-15-19(27)13-14-20(17)18/h5-10,12-15,27H,3-4,11,16H2,1-2H3.
What are the key properties of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91445160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).