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

C24H23NO3 — CID 91304429

IUPAC2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C24H23NO3/c1-2-3-10-22-23(20-9-4-5-11-21(20)28-22)24(27)25-15-17-8-6-7-16-14-18(26)12-13-19(16)17/h4-9,11-14,26H,2-3,10,15H2,1H3,(H,25,27)
InChIKeyVLVDPNOYKCSQEF-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.56
Rot. Bonds6

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

2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 91304429) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
PubChem CID91304429
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C24H23NO3/c1-2-3-10-22-23(20-9-4-5-11-21(20)28-22)24(27)25-15-17-8-6-7-16-14-18(26)12-13-19(16)17/h4-9,11-14,26H,2-3,10,15H2,1H3,(H,25,27)
InChIKeyVLVDPNOYKCSQEF-UHFFFAOYSA-N
XLogP5.56
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
CID 122566
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
CID 16066144
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
(9as)-8-Acetyl-N-[(3-Ethoxynaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide
CID 56593158
3-[(2R)-2-borono-2-[(2-ethoxynaphthalene-1-carbonyl)amino]ethyl]benzoic acid
CID 71562533
3-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275424
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]cyclopropanecarboxamide
CID 127026425
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
CID 127029516
2-(4-fluorophenyl)-N-methyl-5-[3-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 53468460
5-[3-[tert-butyl(methyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468654
5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468850

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide (CID 91304429) is 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12.
What is the InChIKey of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is VLVDPNOYKCSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-3-10-22-23(20-9-4-5-11-21(20)28-22)24(27)25-15-17-8-6-7-16-14-18(26)12-13-19(16)17/h4-9,11-14,26H,2-3,10,15H2,1H3,(H,25,27).
What are the key properties of 2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[(6-hydroxynaphthalen-1-yl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 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]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91304429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).