6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide

C26H35N3O3 — CID 57345232

IUPAC6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide
SMILESCN(C)Cc1ccc(CN(CCCCCC(=O)NO)CCc2cccc3ccccc23)o1
InChIInChI=1S/C26H35N3O3/c1-28(2)19-23-14-15-24(32-23)20-29(17-7-3-4-13-26(30)27-31)18-16-22-11-8-10-21-9-5-6-12-25(21)22/h5-6,8-12,14-15,31H,3-4,7,13,16-20H2,1-2H3,(H,27,30)
InChIKeyTXEIFNPLBMXPFX-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.60
Rot. Bonds13

About 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide

6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide (PubChem CID 57345232) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide
PubChem CID57345232
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide
SMILESCN(C)Cc1ccc(CN(CCCCCC(=O)NO)CCc2cccc3ccccc23)o1
InChIInChI=1S/C26H35N3O3/c1-28(2)19-23-14-15-24(32-23)20-29(17-7-3-4-13-26(30)27-31)18-16-22-11-8-10-21-9-5-6-12-25(21)22/h5-6,8-12,14-15,31H,3-4,7,13,16-20H2,1-2H3,(H,27,30)
InChIKeyTXEIFNPLBMXPFX-UHFFFAOYSA-N
XLogP4.60
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
CID 142707496
6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707528
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
6-[3-(2-methylpiperidin-1-yl)propyl-(2-naphthalen-1-ylethyl)amino]hexanoic acid
CID 142707473
N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
CID 102486340
N-hydroxy-N'-methyl-N'-[(2-propylphenyl)methyl]octanediamide
CID 143322076
6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707525
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357
6-[4-(dimethylamino)butanoyl-(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707447

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide (CID 57345232) is 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide is CN(C)Cc1ccc(CN(CCCCCC(=O)NO)CCc2cccc3ccccc23)o1.
What is the InChIKey of 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide?
The InChIKey is TXEIFNPLBMXPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-28(2)19-23-14-15-24(32-23)20-29(17-7-3-4-13-26(30)27-31)18-16-22-11-8-10-21-9-5-6-12-25(21)22/h5-6,8-12,14-15,31H,3-4,7,13,16-20H2,1-2H3,(H,27,30).
What are the key properties of 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide?
6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide has a molecular weight of 437.58 g/mol, XLogP of 4.60, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(dimethylamino)methyl]furan-2-yl]methyl-(2-naphthalen-1-ylethyl)amino]-N-hydroxyhexanamide is sourced from PubChem (CID 57345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).